From 79e535f86702240f9a8c662a709f6074ffe5e412 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= Date: Tue, 18 Nov 2014 19:00:01 +0000 Subject: [PATCH] Remove f77_blas_poison svn-origin-rev: 14698 --- src/admm_dm_types.F | 1 - src/admm_types.F | 1 - src/al_system_types.F | 1 - src/almo_scf_methods.F | 1 - src/aobasis/ai_angmom.F | 1 - src/aobasis/ai_coulomb.F | 2 +- src/aobasis/ai_derivatives.F | 2 +- src/aobasis/ai_elec_field.F | 1 - src/aobasis/ai_eri_debug.F | 2 +- src/aobasis/ai_fermi_contact.F | 2 +- src/aobasis/ai_geminals.F | 1 - src/aobasis/ai_geminals_debug.F | 1 - src/aobasis/ai_geminals_utils.F | 2 +- src/aobasis/ai_kinetic.F | 1 - src/aobasis/ai_onecenter.F | 1 - src/aobasis/ai_oneelectron.F | 2 +- src/aobasis/ai_os_rr.F | 2 +- src/aobasis/ai_overlap.F | 1 - src/aobasis/ai_overlap3.F | 2 +- src/aobasis/ai_overlap3_debug.F | 2 +- src/aobasis/ai_overlap_aabb.F | 2 +- src/aobasis/ai_overlap_debug.F | 2 +- src/aobasis/ai_overlap_ppl.F | 1 - src/aobasis/ai_spin_orbit.F | 1 - 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src/qs_scf_methods.F | 1 - src/qs_scf_output.F | 1 - src/qs_scf_post_gpw.F | 1 - src/qs_scf_post_se.F | 2 +- src/qs_scf_types.F | 1 - src/qs_scf_wfn_mix.F | 1 - src/qs_subsys_methods.F | 1 - src/qs_subsys_types.F | 1 - src/qs_tddfpt_eigensolver.F | 1 - src/qs_tddfpt_module.F | 1 - src/qs_tddfpt_types.F | 1 - src/qs_wf_history_methods.F | 1 - src/qs_wf_history_types.F | 1 - src/rel_control_types.F | 2 +- src/replica_methods.F | 1 - src/replica_types.F | 1 - src/restraint.F | 1 - src/rmsd.F | 2 +- src/rpa_ri_gpw.F | 2 +- src/rt_hfx_utils.F | 1 - src/s_square_methods.F | 1 - src/scf_control_types.F | 1 - src/scp_coeff_types.F | 1 - src/scp_delta_fock_matrix.F | 1 - src/scp_diis_utils.F | 1 - src/scp_energy_types.F | 2 +- src/scp_environment.F | 1 - src/scp_environment_types.F | 1 - src/scp_fock_matrix_integrals.F | 2 +- src/scptb_core_interactions.F | 1 - src/scptb_core_matrix.F | 1 - src/scptb_ks_matrix.F | 1 - src/scptb_parameters.F | 2 +- src/scptb_types.F | 1 - src/scptb_utils.F | 1 - src/se_core_core.F | 1 - src/se_core_matrix.F | 1 - src/se_fock_matrix_coulomb_ga.F | 1 - src/se_fock_matrix_coulomb_mpi.F | 1 - src/se_fock_matrix_dbg.F | 1 - src/se_fock_matrix_exchange.F | 1 - src/se_fock_matrix_ga.F | 1 - src/se_fock_matrix_integrals.F | 2 +- src/se_fock_matrix_mpi.F | 1 - src/semi_empirical_expns3_methods.F | 1 - src/semi_empirical_expns3_types.F | 2 +- src/semi_empirical_int3_utils.F | 2 +- src/semi_empirical_int_ana.F | 2 +- src/semi_empirical_int_arrays.F | 2 +- src/semi_empirical_int_debug.F | 16 +- src/semi_empirical_int_debug.h | 8 - src/semi_empirical_int_gks.F | 1 - src/semi_empirical_int_num.F | 2 +- src/semi_empirical_int_utils.F | 2 +- src/semi_empirical_integrals.F | 2 +- src/semi_empirical_mpole_methods.F | 2 +- src/semi_empirical_mpole_types.F | 2 +- src/semi_empirical_par_utils.F | 2 +- src/semi_empirical_parameters.F | 2 +- src/semi_empirical_store_int_types.F | 2 +- src/semi_empirical_types.F | 1 - src/semi_empirical_utils.F | 1 - src/simpar_types.F | 2 +- src/soft_basis_set.F | 1 - src/splines_methods.F | 2 +- src/splines_types.F | 2 +- src/spme.F | 1 - src/start/cp2k.F | 1 - src/start/cp2k_runs.F | 1 - src/start/input_cp2k.F | 1 - src/start/input_cp2k_motion.F | 1 - src/statistical_methods.F | 1 - src/subsys/_el_typename__list_types.template | 1 - src/subsys/atomic_kind_list_types.F | 1 - src/subsys/atomic_kind_types.F | 1 - src/subsys/atprop_types.F | 2 +- src/subsys/cell_types.F | 1 - src/subsys/colvar_types.F | 2 +- src/subsys/cp_subsys_types.F | 1 - src/subsys/external_potential_types.F | 1 - src/subsys/force_field_kind_types.F | 2 +- src/subsys/mol_kind_new_list_types.F | 1 - src/subsys/mol_new_list_types.F | 1 - src/subsys/molecule_kind_types.F | 1 - src/subsys/molecule_types_new.F | 1 - src/subsys/multipole_types.F | 1 - src/subsys/particle_list_types.F | 1 - src/subsys/particle_types.F | 1 - src/subsys/shell_potential_types.F | 2 +- src/subsys/virial_types.F | 2 +- src/surface_dipole.F | 1 - src/taper_types.F | 2 +- src/task_list_methods.F | 1 - src/task_list_types.F | 2 +- src/thermostat_mapping.F | 1 - src/topology.F | 1 - src/topology_amber.F | 1 - src/topology_cif.F | 1 - src/topology_connectivity_util.F | 1 - src/topology_constraint_util.F | 1 - src/topology_coordinate_util.F | 1 - src/topology_cp2k.F | 1 - src/topology_generate_util.F | 1 - src/topology_gromos.F | 1 - src/topology_input.F | 1 - src/topology_multiple_unit_cell.F | 1 - src/topology_pdb.F | 1 - src/topology_psf.F | 1 - src/topology_types.F | 1 - src/topology_util.F | 1 - src/topology_xtl.F | 1 - src/topology_xyz.F | 1 - src/virial_methods.F | 1 - src/wannier_states.F | 1 - src/whittaker.F | 2 +- src/xas_control.F | 1 - src/xas_env_types.F | 1 - src/xas_restart.F | 1 - src/xas_tp_scf.F | 1 - src/xc/cp_linked_list_xc_deriv.F | 1 - src/xc/xc_atom.F | 1 - src/xc/xc_b97.F | 1 - src/xc/xc_cs1.F | 2 +- src/xc/xc_derivative_desc.F | 4 +- src/xc/xc_derivative_set_types.F | 1 - src/xc/xc_derivative_types.F | 2 +- src/xc/xc_derivatives.F | 2 +- src/xc/xc_exchange_gga.F | 1 - src/xc/xc_functionals_utilities.F | 2 +- src/xc/xc_hcth.F | 2 +- src/xc/xc_ke_gga.F | 1 - src/xc/xc_libxc.F | 2 +- src/xc/xc_lyp.F | 1 - src/xc/xc_lyp_adiabatic.F | 1 - src/xc/xc_optx.F | 1 - src/xc/xc_pade.F | 1 - src/xc/xc_pbe.F | 1 - src/xc/xc_perdew86.F | 2 +- src/xc/xc_perdew_wang.F | 2 +- src/xc/xc_perdew_zunger.F | 1 - src/xc/xc_rho_cflags_types.F | 4 +- src/xc/xc_rho_set_types.F | 1 - src/xc/xc_tfw.F | 1 - src/xc/xc_thomas_fermi.F | 1 - src/xc/xc_tpss.F | 1 - src/xc/xc_vwn.F | 1 - src/xc/xc_xalpha.F | 1 - src/xc/xc_xbecke88.F | 1 - src/xc/xc_xbecke88_long_range.F | 1 - src/xc/xc_xbecke88_lr_adiabatic.F | 1 - src/xc/xc_xbecke_roussel.F | 1 - src/xc/xc_xbeef.F | 1 - src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F | 2 +- src/xc/xc_xlda_hole_t_c_lr.F | 2 +- src/xc/xc_xpbe_hole_t_c_lr.F | 1 - src/xc/xc_xwpbe.F | 1 - src/xc_adiabatic_methods.F | 2 +- src/xc_pot_saop.F | 1 - src/xc_write_output.F | 2 +- 657 files changed, 174 insertions(+), 1517 deletions(-) delete mode 100644 src/common/f77_blas.F delete mode 100644 src/common/f77_blas_poison.F diff --git a/src/admm_dm_types.F b/src/admm_dm_types.F index 2bafa73e0c..4c666f219c 100644 --- a/src/admm_dm_types.F +++ b/src/admm_dm_types.F @@ -13,7 +13,6 @@ MODULE admm_dm_types USE cp_control_types, ONLY: admm_control_type USE cp_dbcsr_interface, ONLY: cp_dbcsr_release,& cp_dbcsr_type - USE f77_blas USE input_constants, ONLY: do_admm_basis_projection,& do_admm_purify_mcweeny USE kinds, ONLY: dp diff --git a/src/admm_types.F b/src/admm_types.F index f19402a221..37ae315e16 100644 --- a/src/admm_types.F +++ b/src/admm_types.F @@ -21,7 +21,6 @@ MODULE admm_types cp_fm_release,& cp_fm_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: do_admm_basis_projection,& do_admm_blocked_projection USE input_section_types, ONLY: section_vals_release,& diff --git a/src/al_system_types.F b/src/al_system_types.F index d78d5274b4..e7592a200d 100644 --- a/src/al_system_types.F +++ b/src/al_system_types.F @@ -13,7 +13,6 @@ MODULE al_system_types USE extended_system_types, ONLY: create_map_info_type,& map_info_type,& release_map_info_type - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/almo_scf_methods.F b/src/almo_scf_methods.F index ee94bbd3bc..68b2ff312e 100644 --- a/src/almo_scf_methods.F +++ b/src/almo_scf_methods.F @@ -36,7 +36,6 @@ MODULE almo_scf_methods domain_submatrix_type,& select_row,& select_row_col - USE f77_blas USE input_constants, ONLY: almo_domain_layout_molecular,& almo_mat_distr_atomic,& almo_scf_diag diff --git a/src/aobasis/ai_angmom.F b/src/aobasis/ai_angmom.F index 2bbb411c4c..3cf59eb0de 100644 --- a/src/aobasis/ai_angmom.F +++ b/src/aobasis/ai_angmom.F @@ -30,7 +30,6 @@ MODULE ai_angmom USE ai_derivatives, ONLY: dabdr USE ai_moments, ONLY: moment - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: pi USE orbital_pointers, ONLY: coset,& diff --git a/src/aobasis/ai_coulomb.F b/src/aobasis/ai_coulomb.F index 642b56dd04..8a5356ad07 100644 --- a/src/aobasis/ai_coulomb.F +++ b/src/aobasis/ai_coulomb.F @@ -37,7 +37,7 @@ !> \author Matthias Krack (22.08.2000) ! ***************************************************************************** MODULE ai_coulomb - USE f77_blas + USE gamma, ONLY: fgamma=>fgamma_0 USE kinds, ONLY: dp USE mathconstants, ONLY: pi diff --git a/src/aobasis/ai_derivatives.F b/src/aobasis/ai_derivatives.F index 337272f0ea..96e97c1fd8 100644 --- a/src/aobasis/ai_derivatives.F +++ b/src/aobasis/ai_derivatives.F @@ -30,7 +30,7 @@ !> - zetp : Reciprocal of the sum of the exponents of orbital a and b. ! ***************************************************************************** MODULE ai_derivatives - USE f77_blas + USE kinds, ONLY: dp USE orbital_pointers, ONLY: coset,& ncoset diff --git a/src/aobasis/ai_elec_field.F b/src/aobasis/ai_elec_field.F index 1293eb1acd..76a02a391e 100644 --- a/src/aobasis/ai_elec_field.F +++ b/src/aobasis/ai_elec_field.F @@ -35,7 +35,6 @@ ! ***************************************************************************** MODULE ai_elec_field USE ai_os_rr, ONLY: os_rr_coul - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: pi USE orbital_pointers, ONLY: coset,& diff --git a/src/aobasis/ai_eri_debug.F b/src/aobasis/ai_eri_debug.F index 46c4310e74..1752497c71 100644 --- a/src/aobasis/ai_eri_debug.F +++ b/src/aobasis/ai_eri_debug.F @@ -13,7 +13,7 @@ !> \author J. Hutter (07.2009) ! ***************************************************************************** MODULE ai_eri_debug - USE f77_blas + USE gamma, ONLY: fgamma_ref USE kinds, ONLY: dp USE mathconstants, ONLY: pi diff --git a/src/aobasis/ai_fermi_contact.F b/src/aobasis/ai_fermi_contact.F index 6e579a9047..026d034d93 100644 --- a/src/aobasis/ai_fermi_contact.F +++ b/src/aobasis/ai_fermi_contact.F @@ -25,7 +25,7 @@ !> \author Matthias Krack (08.10.1999) ! ***************************************************************************** MODULE ai_fermi_contact - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: pi USE orbital_pointers, ONLY: coset,& diff --git a/src/aobasis/ai_geminals.F b/src/aobasis/ai_geminals.F index 412fbba3ed..5e89f3d078 100644 --- a/src/aobasis/ai_geminals.F +++ b/src/aobasis/ai_geminals.F @@ -15,7 +15,6 @@ MODULE ai_geminals USE ai_geminals_utils, ONLY: acoff,& matv - USE f77_blas USE gamma, ONLY: fgamma=>fgamma_1 USE kinds, ONLY: dp USE mathconstants, ONLY: pi diff --git a/src/aobasis/ai_geminals_debug.F b/src/aobasis/ai_geminals_debug.F index 17d8c11b11..58ca9624c0 100644 --- a/src/aobasis/ai_geminals_debug.F +++ b/src/aobasis/ai_geminals_debug.F @@ -16,7 +16,6 @@ MODULE ai_geminals_debug USE ai_geminals_utils, ONLY: acoff,& matv - USE f77_blas USE gamma, ONLY: fgamma_ref USE kinds, ONLY: dp USE mathconstants, ONLY: pi diff --git a/src/aobasis/ai_geminals_utils.F b/src/aobasis/ai_geminals_utils.F index ff53ff2d9d..af015b66da 100644 --- a/src/aobasis/ai_geminals_utils.F +++ b/src/aobasis/ai_geminals_utils.F @@ -14,7 +14,7 @@ !> \author Juerg Hutter (07.2009) ! ***************************************************************************** MODULE ai_geminals_utils - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: fac #include "../common/cp_common_uses.f90" diff --git a/src/aobasis/ai_kinetic.F b/src/aobasis/ai_kinetic.F index 7ce632f74e..8de638ee7e 100644 --- a/src/aobasis/ai_kinetic.F +++ b/src/aobasis/ai_kinetic.F @@ -17,7 +17,6 @@ ! ***************************************************************************** MODULE ai_kinetic USE ai_os_rr, ONLY: os_rr_ovlp - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: pi USE orbital_pointers, ONLY: coset,& diff --git a/src/aobasis/ai_onecenter.F b/src/aobasis/ai_onecenter.F index a7cfc56778..996d185917 100644 --- a/src/aobasis/ai_onecenter.F +++ b/src/aobasis/ai_onecenter.F @@ -26,7 +26,6 @@ MODULE ai_onecenter USE erf_fn, ONLY: erf - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: dfac,& fac,& diff --git a/src/aobasis/ai_oneelectron.F b/src/aobasis/ai_oneelectron.F index 6ecadeb298..21261c69a0 100644 --- a/src/aobasis/ai_oneelectron.F +++ b/src/aobasis/ai_oneelectron.F @@ -30,7 +30,7 @@ !> \author jhu (05.2011) ! ***************************************************************************** MODULE ai_oneelectron - USE f77_blas + USE kinds, ONLY: dp USE orbital_pointers, ONLY: coset,& ncoset diff --git a/src/aobasis/ai_os_rr.F b/src/aobasis/ai_os_rr.F index 071ad6af09..8c8428eb1f 100644 --- a/src/aobasis/ai_os_rr.F +++ b/src/aobasis/ai_os_rr.F @@ -4,7 +4,7 @@ !-----------------------------------------------------------------------------! MODULE ai_os_rr - USE f77_blas + USE gamma, ONLY: fgamma=>fgamma_0 USE kinds, ONLY: dp USE orbital_pointers, ONLY: coset diff --git a/src/aobasis/ai_overlap.F b/src/aobasis/ai_overlap.F index 0fdb532494..24857ccc16 100644 --- a/src/aobasis/ai_overlap.F +++ b/src/aobasis/ai_overlap.F @@ -15,7 +15,6 @@ ! ***************************************************************************** MODULE ai_overlap USE ai_os_rr, ONLY: os_rr_ovlp - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: pi USE orbital_pointers, ONLY: coset,& diff --git a/src/aobasis/ai_overlap3.F b/src/aobasis/ai_overlap3.F index 1d1ec2ad1c..d1b9ed61d0 100644 --- a/src/aobasis/ai_overlap3.F +++ b/src/aobasis/ai_overlap3.F @@ -42,7 +42,7 @@ MODULE ai_overlap3 ! ***************************************************************************** - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: pi USE orbital_pointers, ONLY: coset,& diff --git a/src/aobasis/ai_overlap3_debug.F b/src/aobasis/ai_overlap3_debug.F index f48fd88f4b..9854c4c6d9 100644 --- a/src/aobasis/ai_overlap3_debug.F +++ b/src/aobasis/ai_overlap3_debug.F @@ -12,7 +12,7 @@ !> \author Dorothea Golze ! ***************************************************************************** MODULE ai_overlap3_debug - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: pi #include "../common/cp_common_uses.f90" diff --git a/src/aobasis/ai_overlap_aabb.F b/src/aobasis/ai_overlap_aabb.F index 3d123de031..f06edb132c 100644 --- a/src/aobasis/ai_overlap_aabb.F +++ b/src/aobasis/ai_overlap_aabb.F @@ -23,7 +23,7 @@ !> - zetp : Reciprocal of the sum of the exponents of orbital a and b. ! ***************************************************************************** MODULE ai_overlap_aabb - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: pi USE orbital_pointers, ONLY: coset,& diff --git a/src/aobasis/ai_overlap_debug.F b/src/aobasis/ai_overlap_debug.F index 4c0dbbc1aa..7e9af97eeb 100644 --- a/src/aobasis/ai_overlap_debug.F +++ b/src/aobasis/ai_overlap_debug.F @@ -12,7 +12,7 @@ !> \author Dorothea Golze ! ***************************************************************************** MODULE ai_overlap_debug - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: pi #include "../common/cp_common_uses.f90" diff --git a/src/aobasis/ai_overlap_ppl.F b/src/aobasis/ai_overlap_ppl.F index 1baf2906c7..98fd5bb9aa 100644 --- a/src/aobasis/ai_overlap_ppl.F +++ b/src/aobasis/ai_overlap_ppl.F @@ -24,7 +24,6 @@ ! ***************************************************************************** MODULE ai_overlap_ppl USE ai_oneelectron, ONLY: os_3center - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: fac,& pi diff --git a/src/aobasis/ai_spin_orbit.F b/src/aobasis/ai_spin_orbit.F index f05aed1e65..766864245c 100644 --- a/src/aobasis/ai_spin_orbit.F +++ b/src/aobasis/ai_spin_orbit.F @@ -34,7 +34,6 @@ ! ***************************************************************************** MODULE ai_spin_orbit USE ai_os_rr, ONLY: os_rr_coul - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: pi USE orbital_pointers, ONLY: coset,& diff --git a/src/aobasis/ai_verfc.F b/src/aobasis/ai_verfc.F index 2c7ef028df..07c79076d0 100644 --- a/src/aobasis/ai_verfc.F +++ b/src/aobasis/ai_verfc.F @@ -79,7 +79,7 @@ MODULE ai_verfc - USE f77_blas + USE gamma, ONLY: fgamma=>fgamma_0 USE kinds, ONLY: dp USE mathconstants, ONLY: pi diff --git a/src/aobasis/ao_util.F b/src/aobasis/ao_util.F index de0bc956af..7435168ff7 100644 --- a/src/aobasis/ao_util.F +++ b/src/aobasis/ao_util.F @@ -11,7 +11,7 @@ ! ***************************************************************************** MODULE ao_util - USE f77_blas + USE kinds, ONLY: dp,& dp_size USE mathconstants, ONLY: & diff --git a/src/aobasis/orbital_pointers.F b/src/aobasis/orbital_pointers.F index ec657cf354..7fa845eea4 100644 --- a/src/aobasis/orbital_pointers.F +++ b/src/aobasis/orbital_pointers.F @@ -23,7 +23,7 @@ MODULE orbital_pointers ! nsoset: Number of spherical orbitals up to the angular momentum quantum ! number l. - USE f77_blas + USE kinds, ONLY: int_size USE termination, ONLY: stop_memory,& stop_program diff --git a/src/aobasis/orbital_symbols.F b/src/aobasis/orbital_symbols.F index 96d1c3c7f1..46c640510d 100644 --- a/src/aobasis/orbital_symbols.F +++ b/src/aobasis/orbital_symbols.F @@ -10,7 +10,7 @@ !> \author Matthias Krack (08.06.2000) ! ***************************************************************************** MODULE orbital_symbols - USE f77_blas + ! Index: ! FUNCTION cgf_symbol(n,lxyz) RESULT(symbol) ! FUNCTION sgf_symbol(n,l,m) RESULT(symbol) diff --git a/src/aobasis/orbital_transformation_matrices.F b/src/aobasis/orbital_transformation_matrices.F index 34fbbee277..7f5274399b 100644 --- a/src/aobasis/orbital_transformation_matrices.F +++ b/src/aobasis/orbital_transformation_matrices.F @@ -14,7 +14,7 @@ ! ***************************************************************************** MODULE orbital_transformation_matrices - USE f77_blas + USE kinds, ONLY: dp,& dp_size,& int_size diff --git a/src/aobasis/sto_ng.F b/src/aobasis/sto_ng.F index fc5f8f15bb..cb9a5c10e4 100644 --- a/src/aobasis/sto_ng.F +++ b/src/aobasis/sto_ng.F @@ -9,7 +9,7 @@ !> \author jgh ! ***************************************************************************** MODULE sto_ng - USE f77_blas + USE kinds, ONLY: dp #include "../common/cp_common_uses.f90" diff --git a/src/atom.F b/src/atom.F index 7aacef2769..390594fd59 100644 --- a/src/atom.F +++ b/src/atom.F @@ -10,7 +10,6 @@ MODULE atom USE atom_pseudo, ONLY: atom_pseudo_opt USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE header, ONLY: atom_footer,& atom_header USE input_constants, ONLY: atom_basis_run,& diff --git a/src/atom_basis.F b/src/atom_basis.F index 4f63c0fb50..7bf7e44788 100644 --- a/src/atom_basis.F +++ b/src/atom_basis.F @@ -22,7 +22,6 @@ MODULE atom_basis get_maxn_occ USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE input_constants, ONLY: do_analytic USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& diff --git a/src/atom_electronic_structure.F b/src/atom_electronic_structure.F index 5536448b9c..d1ff8b36b5 100644 --- a/src/atom_electronic_structure.F +++ b/src/atom_electronic_structure.F @@ -28,7 +28,6 @@ MODULE atom_electronic_structure calculate_atom_vxc_lda,& calculate_atom_vxc_lsd,& calculate_atom_zmp - USE f77_blas USE input_constants, ONLY: & do_analytic, do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, & do_dkh4_atom, do_dkh5_atom, do_nonrel_atom, do_numeric, do_rhf_atom, & diff --git a/src/atom_energy.F b/src/atom_energy.F index 0b48102395..260aec88bb 100644 --- a/src/atom_energy.F +++ b/src/atom_energy.F @@ -38,7 +38,6 @@ MODULE atom_energy calculate_atom_zmp USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE input_constants, ONLY: do_analytic USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& diff --git a/src/atom_fit.F b/src/atom_fit.F index fe5be45a6d..a9d564ac0f 100644 --- a/src/atom_fit.F +++ b/src/atom_fit.F @@ -27,7 +27,6 @@ MODULE atom_fit get_maxn_occ, integrate_grid USE cp_files, ONLY: close_file,& open_file - USE f77_blas USE input_constants, ONLY: do_analytic USE input_section_types, ONLY: section_vals_type,& section_vals_val_get diff --git a/src/atom_operators.F b/src/atom_operators.F index 4445989513..45b1d73498 100644 --- a/src/atom_operators.F +++ b/src/atom_operators.F @@ -26,7 +26,6 @@ MODULE atom_operators wigner_slater_functional USE dkh_main, ONLY: dkh_atom_transformation USE erf_fn, ONLY: erfc - USE f77_blas USE input_constants, ONLY: & do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, do_dkh4_atom, & do_dkh5_atom, do_nonrel_atom, do_sczoramp_atom, do_zoramp_atom diff --git a/src/atom_optimization.F b/src/atom_optimization.F index bced969383..b86d06f1b9 100644 --- a/src/atom_optimization.F +++ b/src/atom_optimization.F @@ -8,7 +8,6 @@ ! ***************************************************************************** MODULE atom_optimization USE atom_types, ONLY: atom_optimization_type - USE f77_blas USE kinds, ONLY: dp USE lapack, ONLY: lapack_sgelss #include "./common/cp_common_uses.f90" diff --git a/src/atom_output.F b/src/atom_output.F index 9f3a228020..9b2c2fc9a8 100644 --- a/src/atom_output.F +++ b/src/atom_output.F @@ -16,7 +16,6 @@ MODULE atom_output get_maxn_occ USE cp_files, ONLY: close_file,& open_file - USE f77_blas USE input_constants, ONLY: & do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, do_dkh4_atom, & do_dkh5_atom, do_nonrel_atom, do_rhf_atom, do_rks_atom, do_rohf_atom, & diff --git a/src/atom_pseudo.F b/src/atom_pseudo.F index 548b86c418..b317bf47d7 100644 --- a/src/atom_pseudo.F +++ b/src/atom_pseudo.F @@ -29,7 +29,6 @@ MODULE atom_pseudo get_maxn_occ USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE input_constants, ONLY: do_analytic USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& diff --git a/src/atom_types.F b/src/atom_types.F index b9b16f793b..2f030bcc90 100644 --- a/src/atom_types.F +++ b/src/atom_types.F @@ -20,7 +20,6 @@ MODULE atom_types USE cp_parser_types, ONLY: cp_parser_type,& parser_create,& parser_release - USE f77_blas USE input_constants, ONLY: contracted_gto,& gaussian,& geometrical_gto,& diff --git a/src/atom_utils.F b/src/atom_utils.F index 58311789d7..e0f0542a92 100644 --- a/src/atom_utils.F +++ b/src/atom_utils.F @@ -23,7 +23,6 @@ MODULE atom_utils get_unit_number,& open_file USE erf_fn, ONLY: erf - USE f77_blas USE input_constants, ONLY: do_rhf_atom,& do_rks_atom,& do_rohf_atom,& diff --git a/src/atomic_charges.F b/src/atomic_charges.F index 51056d11d8..3653047005 100644 --- a/src/atomic_charges.F +++ b/src/atomic_charges.F @@ -11,7 +11,6 @@ ! ***************************************************************************** MODULE atomic_charges USE atomic_kind_types, ONLY: get_atomic_kind - USE f77_blas USE kinds, ONLY: dp USE particle_types, ONLY: particle_type USE qs_kind_types, ONLY: get_qs_kind,& diff --git a/src/atoms_input.F b/src/atoms_input.F index 25cb973c08..36a881b78a 100644 --- a/src/atoms_input.F +++ b/src/atoms_input.F @@ -25,7 +25,6 @@ MODULE atoms_input cp_sll_val_type USE cp_parser_methods, ONLY: read_float_object USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& section_vals_list_get,& diff --git a/src/beta_gamma_psi.F b/src/beta_gamma_psi.F index 8639b76641..7e8ed186e2 100644 --- a/src/beta_gamma_psi.F +++ b/src/beta_gamma_psi.F @@ -6,7 +6,7 @@ ! ***************************************************************************** MODULE beta_gamma_psi ! not tested in the case where dp would stand for single precision - USE f77_blas + USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/block_p_types.F b/src/block_p_types.F index 4c39f2aaef..b06083530f 100644 --- a/src/block_p_types.F +++ b/src/block_p_types.F @@ -10,7 +10,7 @@ !> \author fxcoudert [2006.12] ! ***************************************************************************** MODULE block_p_types - USE f77_blas + USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/bsse.F b/src/bsse.F index c554770d2d..f7e561e8d4 100644 --- a/src/bsse.F +++ b/src/bsse.F @@ -24,7 +24,6 @@ MODULE bsse USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_release,& cp_subsys_type - USE f77_blas USE force_env_methods, ONLY: force_env_calc_energy_force USE force_env_types, ONLY: force_env_get,& force_env_release,& diff --git a/src/cell_methods.F b/src/cell_methods.F index 311d2ad4b9..80697fb98e 100644 --- a/src/cell_methods.F +++ b/src/cell_methods.F @@ -24,7 +24,6 @@ MODULE cell_methods parser_release USE cp_units, ONLY: cp_unit_from_cp2k,& cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: do_cell_cp2k,& do_cell_xsc USE input_cp2k_subsys, ONLY: create_cell_section diff --git a/src/cg_test.F b/src/cg_test.F index 659c6525b3..bf26030262 100644 --- a/src/cg_test.F +++ b/src/cg_test.F @@ -11,7 +11,7 @@ ! ***************************************************************************** MODULE cg_test - USE f77_blas + USE kinds, ONLY: dp USE lebedev, ONLY: deallocate_lebedev_grids,& get_number_of_lebedev_grid,& diff --git a/src/colvar_methods.F b/src/colvar_methods.F index 37e7a657bc..51c4b9cb67 100644 --- a/src/colvar_methods.F +++ b/src/colvar_methods.F @@ -41,7 +41,6 @@ MODULE colvar_methods cp_subsys_p_type,& cp_subsys_type USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type,& use_mixed_force diff --git a/src/colvar_utils.F b/src/colvar_utils.F index a13af679f6..800eb851f5 100644 --- a/src/colvar_utils.F +++ b/src/colvar_utils.F @@ -19,7 +19,6 @@ MODULE colvar_utils USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE input_constants, ONLY: rmsd_all,& diff --git a/src/common/bessel_lib.F b/src/common/bessel_lib.F index cf814cbdd6..807043ded9 100644 --- a/src/common/bessel_lib.F +++ b/src/common/bessel_lib.F @@ -13,7 +13,7 @@ ! ***************************************************************************** MODULE bessel_lib - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: fac,& pi diff --git a/src/common/bibliography.F b/src/common/bibliography.F index ddba65f81a..6f8fcbdfda 100644 --- a/src/common/bibliography.F +++ b/src/common/bibliography.F @@ -27,7 +27,7 @@ !> \author Joost VandeVondele ! ***************************************************************************** MODULE bibliography - USE f77_blas + USE reference_manager, ONLY: add_reference,& cite_reference USE string_utilities, ONLY: s2a diff --git a/src/common/cp_array__nametype1__utils.template b/src/common/cp_array__nametype1__utils.template index 61a8bd30b9..9c5a7ab30a 100644 --- a/src/common/cp_array__nametype1__utils.template +++ b/src/common/cp_array__nametype1__utils.template @@ -39,7 +39,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE cp_array_[nametype1]_utils - USE f77_blas USE machine, ONLY: m_flush #include "cp_common_uses.f90" [USE] diff --git a/src/common/cp_array_i_utils.F b/src/common/cp_array_i_utils.F index bc96793834..bf995b8dcb 100644 --- a/src/common/cp_array_i_utils.F +++ b/src/common/cp_array_i_utils.F @@ -40,7 +40,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE cp_array_i_utils - USE f77_blas USE machine, ONLY: m_flush #include "cp_common_uses.f90" diff --git a/src/common/cp_array_logical_utils.F b/src/common/cp_array_logical_utils.F index 8bf0328a8c..9e94a5fa55 100644 --- a/src/common/cp_array_logical_utils.F +++ b/src/common/cp_array_logical_utils.F @@ -40,7 +40,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE cp_array_logical_utils - USE f77_blas USE machine, ONLY: m_flush #include "cp_common_uses.f90" diff --git a/src/common/cp_array_r_utils.F b/src/common/cp_array_r_utils.F index 798159bc99..bda7eabe49 100644 --- a/src/common/cp_array_r_utils.F +++ b/src/common/cp_array_r_utils.F @@ -40,7 +40,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE cp_array_r_utils - USE f77_blas USE kinds, ONLY: dp USE machine, ONLY: m_flush #include "cp_common_uses.f90" diff --git a/src/common/cp_error_handling.F b/src/common/cp_error_handling.F index 199b682006..bfda5e1642 100644 --- a/src/common/cp_error_handling.F +++ b/src/common/cp_error_handling.F @@ -34,7 +34,6 @@ MODULE cp_error_handling cp_get_default_logger, cp_log, cp_logger_get_default_unit_nr, & cp_logger_release, cp_logger_retain, cp_logger_type, cp_to_string USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE message_passing, ONLY: mp_abort,& mp_max USE termination, ONLY: print_message diff --git a/src/common/cp_files.F b/src/common/cp_files.F index 9df432f26c..d04fbcddd1 100644 --- a/src/common/cp_files.F +++ b/src/common/cp_files.F @@ -13,7 +13,7 @@ ! ***************************************************************************** MODULE cp_files - USE f77_blas + USE kinds, ONLY: default_path_length USE machine, ONLY: default_input_unit,& default_output_unit diff --git a/src/common/cp_iter_types.F b/src/common/cp_iter_types.F index 6843ee1886..840920efd3 100644 --- a/src/common/cp_iter_types.F +++ b/src/common/cp_iter_types.F @@ -7,7 +7,7 @@ !> \brief Collection of routines to handle the iteration info ! ***************************************************************************** MODULE cp_iter_types - USE f77_blas + USE kinds, ONLY: default_path_length,& default_string_length USE message_passing, ONLY: mp_abort diff --git a/src/common/cp_linked_list__nametype1_.template b/src/common/cp_linked_list__nametype1_.template index 95d58943b5..3d08c7c62b 100644 --- a/src/common/cp_linked_list__nametype1_.template +++ b/src/common/cp_linked_list__nametype1_.template @@ -42,7 +42,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE cp_linked_list_[nametype1] - USE f77_blas #include "[common_dir]/cp_common_uses.f90" [USE] IMPLICIT NONE diff --git a/src/common/cp_log_handling.F b/src/common/cp_log_handling.F index 215a7ae231..469b731bce 100644 --- a/src/common/cp_log_handling.F +++ b/src/common/cp_log_handling.F @@ -44,7 +44,6 @@ MODULE cp_log_handling cp_iteration_info_retain,& cp_iteration_info_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE kinds, ONLY: default_path_length,& default_string_length,& dp diff --git a/src/common/cp_para_env.F b/src/common/cp_para_env.F index 6301888fab..27fe5d4e9c 100644 --- a/src/common/cp_para_env.F +++ b/src/common/cp_para_env.F @@ -13,7 +13,6 @@ MODULE cp_para_env USE cp_para_types, ONLY: cp_para_cart_type,& cp_para_env_type - USE f77_blas USE message_passing, ONLY: mp_comm_free,& mp_environ #include "cp_common_uses.f90" diff --git a/src/common/cp_para_types.F b/src/common/cp_para_types.F index 43c51f3113..ddf6222d2e 100644 --- a/src/common/cp_para_types.F +++ b/src/common/cp_para_types.F @@ -12,7 +12,7 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE cp_para_types - USE f77_blas + IMPLICIT NONE PRIVATE diff --git a/src/common/cp_result_methods.F b/src/common/cp_result_methods.F index 7a00846b01..731eebe6a0 100644 --- a/src/common/cp_result_methods.F +++ b/src/common/cp_result_methods.F @@ -19,7 +19,6 @@ MODULE cp_result_methods cp_result_type, cp_result_value_copy, cp_result_value_create, & cp_result_value_init, cp_result_value_p_reallocate, & result_type_integer, result_type_logical, result_type_real - USE f77_blas USE kinds, ONLY: default_string_length,& dp USE memory_utilities, ONLY: reallocate diff --git a/src/common/cp_units.F b/src/common/cp_units.F index 273c311f00..2c164b3787 100644 --- a/src/common/cp_units.F +++ b/src/common/cp_units.F @@ -26,7 +26,7 @@ !> \author fawzi ! ***************************************************************************** MODULE cp_units - USE f77_blas + USE kinds, ONLY: default_string_length,& dp USE mathconstants, ONLY: radians,& diff --git a/src/common/distribution_1d_types.F b/src/common/distribution_1d_types.F index c0f343c82a..0742feb636 100644 --- a/src/common/distribution_1d_types.F +++ b/src/common/distribution_1d_types.F @@ -25,7 +25,6 @@ MODULE distribution_1d_types USE cp_para_env, ONLY: cp_para_env_release,& cp_para_env_retain USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE parallel_rng_types, ONLY: delete_rng_stream,& rng_stream_p_type #include "cp_common_uses.f90" diff --git a/src/common/eigenvalueproblems.F b/src/common/eigenvalueproblems.F index 7ec88168e1..b2f9f9b1fb 100644 --- a/src/common/eigenvalueproblems.F +++ b/src/common/eigenvalueproblems.F @@ -14,7 +14,7 @@ ! ***************************************************************************** MODULE eigenvalueproblems - USE f77_blas + USE kinds, ONLY: dp USE lapack, ONLY: lapack_cgesvd,& lapack_chpev,& diff --git a/src/common/erf_fn.F b/src/common/erf_fn.F index 3b0e72fb39..dd5abb2cdb 100644 --- a/src/common/erf_fn.F +++ b/src/common/erf_fn.F @@ -9,7 +9,7 @@ !> adapted to F95 ! ***************************************************************************** MODULE erf_fn - USE f77_blas + USE kinds, ONLY: dp #include "cp_common_uses.f90" diff --git a/src/common/f77_blas.F b/src/common/f77_blas.F deleted file mode 100644 index fb20856282..0000000000 --- a/src/common/f77_blas.F +++ /dev/null @@ -1,23 +0,0 @@ -!-----------------------------------------------------------------------------! -! CP2K: A general program to perform molecular dynamics simulations ! -! Copyright (C) 2000 - 2014 CP2K developers group ! -!-----------------------------------------------------------------------------! - -! ***************************************************************************** -!> \brief This module is the real poisoning for BLAS. To avoid I/O issues at -!> compiling time it is better to avoid the inclusion of the f77_blas_extra -!> and f77_blas_generic into this module and include them directly in the -!> needed modules. This reduces a lot the compile time on several machines.. -!> See f77_blas_netlib, f77_blas_poison and f77_blas_generic for further -!> comments. -!> \author Joost VandeVondele -!> \par History -!> - Teodoro Laino [tlaino] University of Zurich - 10.2008 -! ***************************************************************************** -MODULE f77_blas -! In the needed module, please includes f77_blas_generic and f77_blas_extra -! USE f77_blas_extra -! USE f77_blas_generic - USE f77_blas_poison - -END MODULE f77_blas diff --git a/src/common/f77_blas_poison.F b/src/common/f77_blas_poison.F deleted file mode 100644 index 33726365a8..0000000000 --- a/src/common/f77_blas_poison.F +++ /dev/null @@ -1,818 +0,0 @@ -! ***************************************************************************** -MODULE f77_blas_poison -! -! this routine 'poisons' the BLAS routines, i.e. -! if this module is USEd, direct calls to BLAS routines are not -! possible (unless the USE statement is appropriate ) -! since there will be an argument mismatch. This provides an easy way -! to keep a code clean of direct BLAS calls. -! -! This file can be useful together with the f77_blas_generic module -! which provides generic interfaces to the BLAS routines. In that case -! only generic calls to BLAS routines will be allowed. -! -! this file is the public domain. Joost VandeVondele. -! - -PRIVATE - -PUBLIC :: SROTG, DROTG, CROTG, ZROTG, SROTMG, DROTMG, SROT, DROT, & - ZROT, CSROT, ZDROT, SROTM, DROTM, SSWAP, DSWAP, CSWAP, & - ZSWAP, SSCAL, DSCAL, CSCAL, ZSCAL, CSSCAL, ZDSCAL, SCOPY, & - DCOPY, CCOPY, ZCOPY, SAXPY, DAXPY, CAXPY, ZAXPY, SDOT, & - DDOT, CDOTU, ZDOTU, CDOTC, ZDOTC, SNRM2, DNRM2, SCNRM2,& - DZNRM2, SASUM, SCASUM, DASUM, DZASUM, ISAMAX, IDAMAX, ICAMAX,& - IZAMAX - -PUBLIC :: SGEMV, DGEMV, CGEMV, ZGEMV, SGBMV, DGBMV, CGBMV, ZGBMV, & - CHEMV, ZHEMV, CHBMV, ZHBMV, CHPMV, ZHPMV, SSYMV, DSYMV, & - SSBMV, DSBMV, SSPMV, DSPMV, STRMV, DTRMV, CTRMV, ZTRMV, & - STBMV, DTBMV, CTBMV, ZTBMV, STPMV, DTPMV, CTPMV, ZTPMV, & - STRSV, DTRSV, CTRSV, ZTRSV, STBSV, DTBSV, CTBSV, ZTBSV, & - STPSV, DTPSV, CTPSV, ZTPSV, SGER, DGER, CGERU, ZGERU, & - CGERC, ZGERC, CHER, ZHER, CHPR, ZHPR, CHER2, ZHER2, & - CHPR2, ZHPR2, SSYR, DSYR, SSPR, DSPR, SSYR2, DSYR2, & - SSPR2, DSPR2 - -PUBLIC :: SGEMM, DGEMM, CGEMM, ZGEMM, SSYMM, DSYMM, CSYMM, ZSYMM, & - CHEMM, ZHEMM, SSYRK, DSYRK, CSYRK, ZSYRK, CHERK, ZHERK, & - SSYR2K, DSYR2K, CSYR2K, ZSYR2K, CHER2K, ZHER2K, STRMM, DTRMM, & - CTRMM, ZTRMM, STRSM, DTRSM, CTRSM, ZTRSM, SDSDOT, DSDOT, & - DCABS1, LSAME, SCABS1 - -CONTAINS - -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SROTG - END SUBROUTINE SROTG -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DROTG - END SUBROUTINE DROTG -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CROTG - END SUBROUTINE CROTG -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZROTG - END SUBROUTINE ZROTG -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SROTMG - END SUBROUTINE SROTMG -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DROTMG - END SUBROUTINE DROTMG -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SROT - END SUBROUTINE SROT -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DROT - END SUBROUTINE DROT -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZROT - END SUBROUTINE ZROT -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CSROT - END SUBROUTINE CSROT -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZDROT - END SUBROUTINE ZDROT -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SROTM - END SUBROUTINE SROTM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DROTM - END SUBROUTINE DROTM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SSWAP - END SUBROUTINE SSWAP -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DSWAP - END SUBROUTINE DSWAP -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CSWAP - END SUBROUTINE CSWAP -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZSWAP - END SUBROUTINE ZSWAP -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SSCAL - END SUBROUTINE SSCAL -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DSCAL - END SUBROUTINE DSCAL -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CSCAL - END SUBROUTINE CSCAL -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZSCAL - END SUBROUTINE ZSCAL -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CSSCAL - END SUBROUTINE CSSCAL -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZDSCAL - END SUBROUTINE ZDSCAL -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SCOPY - END SUBROUTINE SCOPY -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DCOPY - END SUBROUTINE DCOPY -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CCOPY - END SUBROUTINE CCOPY -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZCOPY - END SUBROUTINE ZCOPY -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SAXPY - END SUBROUTINE SAXPY -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DAXPY - END SUBROUTINE DAXPY -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CAXPY - END SUBROUTINE CAXPY -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZAXPY - END SUBROUTINE ZAXPY -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - REAL FUNCTION SDOT() - SDOT=0 - END FUNCTION SDOT -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - DOUBLE PRECISION FUNCTION DDOT() - DDOT=0 - END FUNCTION DDOT -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - COMPLEX FUNCTION CDOTU() - CDOTU=0 - END FUNCTION CDOTU -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - COMPLEX(KIND=KIND(0.0D0)) FUNCTION ZDOTU() - ZDOTU=0 - END FUNCTION ZDOTU -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - COMPLEX FUNCTION CDOTC() - CDOTC=0 - END FUNCTION CDOTC -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - COMPLEX(KIND=KIND(0.0D0)) FUNCTION ZDOTC() - ZDOTC=0 - END FUNCTION ZDOTC -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - REAL FUNCTION SNRM2() - SNRM2=0 - END FUNCTION SNRM2 -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - DOUBLE PRECISION FUNCTION DNRM2() - DNRM2=0 - END FUNCTION DNRM2 -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - REAL FUNCTION SCNRM2() - SCNRM2=0 - END FUNCTION SCNRM2 -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - DOUBLE PRECISION FUNCTION DZNRM2() - DZNRM2=0 - END FUNCTION DZNRM2 -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - REAL FUNCTION SASUM() - SASUM=0 - END FUNCTION SASUM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - REAL FUNCTION SCASUM() - SCASUM=0 - END FUNCTION SCASUM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - DOUBLE PRECISION FUNCTION DASUM() - DASUM=0 - END FUNCTION DASUM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - DOUBLE PRECISION FUNCTION DZASUM() - DZASUM=0 - END FUNCTION DZASUM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - INTEGER FUNCTION ISAMAX() - ISAMAX=0 - END FUNCTION ISAMAX -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - INTEGER FUNCTION IDAMAX() - IDAMAX=0 - END FUNCTION IDAMAX -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - INTEGER FUNCTION ICAMAX() - ICAMAX=0 - END FUNCTION ICAMAX -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - INTEGER FUNCTION IZAMAX() - IZAMAX=0 - END FUNCTION IZAMAX -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SGEMV - END SUBROUTINE SGEMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DGEMV - END SUBROUTINE DGEMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CGEMV - END SUBROUTINE CGEMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZGEMV - END SUBROUTINE ZGEMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SGBMV - END SUBROUTINE SGBMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DGBMV - END SUBROUTINE DGBMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CGBMV - END SUBROUTINE CGBMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZGBMV - END SUBROUTINE ZGBMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CHEMV - END SUBROUTINE CHEMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZHEMV - END SUBROUTINE ZHEMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CHBMV - END SUBROUTINE CHBMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZHBMV - END SUBROUTINE ZHBMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CHPMV - END SUBROUTINE CHPMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZHPMV - END SUBROUTINE ZHPMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SSYMV - END SUBROUTINE SSYMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DSYMV - END SUBROUTINE DSYMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SSBMV - END SUBROUTINE SSBMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DSBMV - END SUBROUTINE DSBMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SSPMV - END SUBROUTINE SSPMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DSPMV - END SUBROUTINE DSPMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE STRMV - END SUBROUTINE STRMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DTRMV - END SUBROUTINE DTRMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CTRMV - END SUBROUTINE CTRMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZTRMV - END SUBROUTINE ZTRMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE STBMV - END SUBROUTINE STBMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DTBMV - END SUBROUTINE DTBMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CTBMV - END SUBROUTINE CTBMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZTBMV - END SUBROUTINE ZTBMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE STPMV - END SUBROUTINE STPMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DTPMV - END SUBROUTINE DTPMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CTPMV - END SUBROUTINE CTPMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZTPMV - END SUBROUTINE ZTPMV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE STRSV - END SUBROUTINE STRSV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DTRSV - END SUBROUTINE DTRSV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CTRSV - END SUBROUTINE CTRSV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZTRSV - END SUBROUTINE ZTRSV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE STBSV - END SUBROUTINE STBSV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DTBSV - END SUBROUTINE DTBSV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CTBSV - END SUBROUTINE CTBSV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZTBSV - END SUBROUTINE ZTBSV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE STPSV - END SUBROUTINE STPSV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DTPSV - END SUBROUTINE DTPSV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CTPSV - END SUBROUTINE CTPSV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZTPSV - END SUBROUTINE ZTPSV -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SGER - END SUBROUTINE SGER -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DGER - END SUBROUTINE DGER -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CGERU - END SUBROUTINE CGERU -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZGERU - END SUBROUTINE ZGERU -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CGERC - END SUBROUTINE CGERC -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZGERC - END SUBROUTINE ZGERC -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CHER - END SUBROUTINE CHER -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZHER - END SUBROUTINE ZHER -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CHPR - END SUBROUTINE CHPR -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZHPR - END SUBROUTINE ZHPR -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CHER2 - END SUBROUTINE CHER2 -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZHER2 - END SUBROUTINE ZHER2 -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CHPR2 - END SUBROUTINE CHPR2 -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZHPR2 - END SUBROUTINE ZHPR2 -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SSYR - END SUBROUTINE SSYR -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DSYR - END SUBROUTINE DSYR -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SSPR - END SUBROUTINE SSPR -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DSPR - END SUBROUTINE DSPR -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SSYR2 - END SUBROUTINE SSYR2 -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DSYR2 - END SUBROUTINE DSYR2 -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SSPR2 - END SUBROUTINE SSPR2 -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DSPR2 - END SUBROUTINE DSPR2 -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SGEMM - END SUBROUTINE SGEMM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DGEMM - END SUBROUTINE DGEMM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CGEMM - END SUBROUTINE CGEMM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZGEMM - END SUBROUTINE ZGEMM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SSYMM - END SUBROUTINE SSYMM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DSYMM - END SUBROUTINE DSYMM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CSYMM - END SUBROUTINE CSYMM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZSYMM - END SUBROUTINE ZSYMM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CHEMM - END SUBROUTINE CHEMM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZHEMM - END SUBROUTINE ZHEMM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SSYRK - END SUBROUTINE SSYRK -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DSYRK - END SUBROUTINE DSYRK -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CSYRK - END SUBROUTINE CSYRK -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZSYRK - END SUBROUTINE ZSYRK -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CHERK - END SUBROUTINE CHERK -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZHERK - END SUBROUTINE ZHERK -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE SSYR2K - END SUBROUTINE SSYR2K -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DSYR2K - END SUBROUTINE DSYR2K -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CSYR2K - END SUBROUTINE CSYR2K -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZSYR2K - END SUBROUTINE ZSYR2K -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CHER2K - END SUBROUTINE CHER2K -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZHER2K - END SUBROUTINE ZHER2K -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE STRMM - END SUBROUTINE STRMM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DTRMM - END SUBROUTINE DTRMM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CTRMM - END SUBROUTINE CTRMM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZTRMM - END SUBROUTINE ZTRMM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE STRSM - END SUBROUTINE STRSM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE DTRSM - END SUBROUTINE DTRSM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE CTRSM - END SUBROUTINE CTRSM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - SUBROUTINE ZTRSM - END SUBROUTINE ZTRSM -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - REAL FUNCTION SDSDOT() - SDSDOT=0 - END FUNCTION SDSDOT -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - DOUBLE PRECISION FUNCTION DSDOT() - DSDOT=0 - END FUNCTION DSDOT -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - DOUBLE PRECISION FUNCTION DCABS1() - DCABS1=0 - END FUNCTION DCABS1 -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - LOGICAL FUNCTION LSAME() - LSAME=.TRUE. - END FUNCTION LSAME -! ***************************************************************************** -!> \brief ... -! ***************************************************************************** - REAL FUNCTION SCABS1() - SCABS1=0 - END FUNCTION SCABS1 -END MODULE f77_blas_poison diff --git a/src/common/fparser.F b/src/common/fparser.F index 334bd39496..dfa5843417 100644 --- a/src/common/fparser.F +++ b/src/common/fparser.F @@ -17,7 +17,7 @@ MODULE fparser ! Roland Schmehl ! !------- -------- --------- --------- --------- --------- --------- --------- ------- - USE f77_blas + USE kinds, ONLY: default_string_length,& rn => dp USE termination, ONLY: stop_memory,& diff --git a/src/common/gamma.F b/src/common/gamma.F index 5c4588ca3a..3803ba61ea 100644 --- a/src/common/gamma.F +++ b/src/common/gamma.F @@ -12,7 +12,7 @@ ! ***************************************************************************** MODULE gamma - USE f77_blas + USE kinds, ONLY: dp,& dp_size USE mathconstants, ONLY: ifac,& diff --git a/src/common/glob_matching.F b/src/common/glob_matching.F index 0d08b78816..099efaa051 100644 --- a/src/common/glob_matching.F +++ b/src/common/glob_matching.F @@ -11,7 +11,7 @@ ! ! ***************************************************************************** MODULE glob_matching - USE f77_blas + IMPLICIT NONE diff --git a/src/common/kahan_sum.F b/src/common/kahan_sum.F index 9309341038..d2586e40b3 100644 --- a/src/common/kahan_sum.F +++ b/src/common/kahan_sum.F @@ -40,7 +40,7 @@ !> \author Joost VandeVondele ! ***************************************************************************** MODULE kahan_sum - USE f77_blas + IMPLICIT NONE PRIVATE diff --git a/src/common/lapack.F b/src/common/lapack.F index b5c8884117..bfac6f87cd 100644 --- a/src/common/lapack.F +++ b/src/common/lapack.F @@ -13,7 +13,7 @@ !> \author APSI ! ***************************************************************************** MODULE lapack - USE f77_blas + IMPLICIT NONE PUBLIC ! make all routines public diff --git a/src/common/lebedev.F b/src/common/lebedev.F index 5976dd392a..68abb736e2 100644 --- a/src/common/lebedev.F +++ b/src/common/lebedev.F @@ -54,7 +54,7 @@ ! ***************************************************************************** MODULE lebedev - USE f77_blas + USE kinds, ONLY: dp USE termination, ONLY: stop_program USE timings, ONLY: timeset,& diff --git a/src/common/linear_systems.F b/src/common/linear_systems.F index e4a1db7041..b29dde86df 100644 --- a/src/common/linear_systems.F +++ b/src/common/linear_systems.F @@ -15,7 +15,7 @@ ! ***************************************************************************** MODULE linear_systems - USE f77_blas + USE kinds, ONLY: dp USE lapack, ONLY: lapack_sgesv USE termination, ONLY: stop_program diff --git a/src/common/mathconstants.F b/src/common/mathconstants.F index beac4eb919..b7aceb51f7 100644 --- a/src/common/mathconstants.F +++ b/src/common/mathconstants.F @@ -12,7 +12,7 @@ !> \author Matthias Krack ! ***************************************************************************** MODULE mathconstants - USE f77_blas + USE kinds, ONLY: dp IMPLICIT NONE diff --git a/src/common/mathlib.F b/src/common/mathlib.F index 9fc6c711da..f603e512f7 100644 --- a/src/common/mathlib.F +++ b/src/common/mathlib.F @@ -12,7 +12,7 @@ ! ***************************************************************************** MODULE mathlib - USE f77_blas + USE kinds, ONLY: default_string_length,& dp USE mathconstants, ONLY: euler,& diff --git a/src/common/memory_utilities.F b/src/common/memory_utilities.F index aa8a29a86b..138e28860b 100644 --- a/src/common/memory_utilities.F +++ b/src/common/memory_utilities.F @@ -12,7 +12,7 @@ ! ***************************************************************************** MODULE memory_utilities - USE f77_blas + USE kinds, ONLY: default_path_length,& default_string_length,& dp,& diff --git a/src/common/parallel_rng_types.F b/src/common/parallel_rng_types.F index df73256328..dd408eae36 100644 --- a/src/common/parallel_rng_types.F +++ b/src/common/parallel_rng_types.F @@ -52,7 +52,7 @@ ! ***************************************************************************** MODULE parallel_rng_types - USE f77_blas + USE kinds, ONLY: default_string_length,& dp USE string_utilities, ONLY: compress diff --git a/src/common/periodic_table.F b/src/common/periodic_table.F index 6f36461d8e..b1361d6714 100644 --- a/src/common/periodic_table.F +++ b/src/common/periodic_table.F @@ -16,7 +16,7 @@ ! ***************************************************************************** MODULE periodic_table - USE f77_blas + USE kinds, ONLY: dp USE string_utilities, ONLY: uppercase USE termination, ONLY: stop_program diff --git a/src/common/physcon.F b/src/common/physcon.F index 3b7a97e8ab..0a68e63cd6 100644 --- a/src/common/physcon.F +++ b/src/common/physcon.F @@ -63,7 +63,7 @@ ! ***************************************************************************** MODULE physcon - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: pi diff --git a/src/common/reference_manager.F b/src/common/reference_manager.F index c615b2f170..7167728b52 100644 --- a/src/common/reference_manager.F +++ b/src/common/reference_manager.F @@ -21,7 +21,6 @@ ! ***************************************************************************** MODULE reference_manager USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE kinds, ONLY: default_string_length USE message_passing, ONLY: mp_max USE util, ONLY: sort diff --git a/src/common/spherical_harmonics.F b/src/common/spherical_harmonics.F index d21729fb42..8b75ce1ad2 100644 --- a/src/common/spherical_harmonics.F +++ b/src/common/spherical_harmonics.F @@ -22,7 +22,7 @@ ! ***************************************************************************** MODULE spherical_harmonics - USE f77_blas + USE kinds, ONLY: dp,& dp_size USE mathconstants, ONLY: dfac,& diff --git a/src/common/string_table.F b/src/common/string_table.F index ebc418d207..c6cbc5382b 100644 --- a/src/common/string_table.F +++ b/src/common/string_table.F @@ -18,7 +18,7 @@ !> \author Joost VandeVondele ! ***************************************************************************** MODULE string_table - USE f77_blas + USE kinds, ONLY: default_string_length,& int_8 #include "cp_common_uses.f90" diff --git a/src/common/string_utilities.F b/src/common/string_utilities.F index ce5b8d55ed..936efea1d5 100644 --- a/src/common/string_utilities.F +++ b/src/common/string_utilities.F @@ -13,7 +13,7 @@ ! ***************************************************************************** MODULE string_utilities - USE f77_blas + USE glob_matching, ONLY: pattern_match=>string_match USE kinds, ONLY: default_blank_character diff --git a/src/common/structure_factor_types.F b/src/common/structure_factor_types.F index 52b29c3c56..dfac77a0c9 100644 --- a/src/common/structure_factor_types.F +++ b/src/common/structure_factor_types.F @@ -9,7 +9,7 @@ ! ***************************************************************************** MODULE structure_factor_types - USE f77_blas + USE kinds, ONLY: dp #include "cp_common_uses.f90" diff --git a/src/common/structure_factors.F b/src/common/structure_factors.F index 354112c81e..e1835397a5 100644 --- a/src/common/structure_factors.F +++ b/src/common/structure_factors.F @@ -9,7 +9,7 @@ ! ***************************************************************************** MODULE structure_factors - USE f77_blas + USE kinds, ONLY: dp,& dp_size USE mathconstants, ONLY: twopi diff --git a/src/common/termination.F b/src/common/termination.F index a182369898..6d879ddea5 100644 --- a/src/common/termination.F +++ b/src/common/termination.F @@ -18,7 +18,6 @@ MODULE termination USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE kinds, ONLY: default_path_length,& int_8 USE machine, ONLY: default_output_unit,& diff --git a/src/common/timings_report.F b/src/common/timings_report.F index 3398bd0fc6..59c6625cea 100644 --- a/src/common/timings_report.F +++ b/src/common/timings_report.F @@ -21,7 +21,6 @@ MODULE timings_report dict_haskey,& dict_items USE dict_i4tuple_callstat, ONLY: dict_i4tuple_callstat_item_type - USE f77_blas USE kinds, ONLY: default_string_length,& dp,& int_8 diff --git a/src/common/util.F b/src/common/util.F index eac3f7a422..0f57041cab 100644 --- a/src/common/util.F +++ b/src/common/util.F @@ -13,7 +13,6 @@ MODULE util USE cp_array_i4_sort, ONLY: cp_1d_i4_sort USE cp_array_i8_sort, ONLY: cp_1d_i8_sort USE cp_array_r_sort, ONLY: cp_1d_r_sort - USE f77_blas USE kinds, ONLY: dp IMPLICIT NONE diff --git a/src/constraint.F b/src/constraint.F index 58ca09e688..79852ec71f 100644 --- a/src/constraint.F +++ b/src/constraint.F @@ -41,7 +41,6 @@ MODULE constraint shake_vsite_int USE cp_para_types, ONLY: cp_para_env_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE input_constants, ONLY: npt_f_ensemble,& npt_i_ensemble USE input_section_types, ONLY: section_vals_get_subs_vals,& diff --git a/src/constraint_3x3.F b/src/constraint_3x3.F index 87411bb2a0..1db963931f 100644 --- a/src/constraint_3x3.F +++ b/src/constraint_3x3.F @@ -12,7 +12,6 @@ MODULE constraint_3x3 USE atomic_kind_types, ONLY: atomic_kind_type,& get_atomic_kind USE constraint_fxd, ONLY: check_fixed_atom_cns_g3x3 - USE f77_blas USE kinds, ONLY: dp USE linear_systems, ONLY: solve_system USE mathlib, ONLY: dotprod_3d,& diff --git a/src/constraint_4x6.F b/src/constraint_4x6.F index e351f9ba94..edcf5ce4df 100644 --- a/src/constraint_4x6.F +++ b/src/constraint_4x6.F @@ -12,7 +12,6 @@ MODULE constraint_4x6 USE atomic_kind_types, ONLY: atomic_kind_type,& get_atomic_kind USE constraint_fxd, ONLY: check_fixed_atom_cns_g4x6 - USE f77_blas USE kinds, ONLY: dp USE linear_systems, ONLY: solve_system USE mathlib, ONLY: dotprod_3d,& diff --git a/src/constraint_clv.F b/src/constraint_clv.F index d134078ad6..2f5c39cf82 100644 --- a/src/constraint_clv.F +++ b/src/constraint_clv.F @@ -14,7 +14,6 @@ MODULE constraint_clv USE colvar_methods, ONLY: colvar_eval_mol_f USE colvar_types, ONLY: colvar_type,& diff_colvar - USE f77_blas USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& section_vals_type,& diff --git a/src/constraint_fxd.F b/src/constraint_fxd.F index e950c1cbfc..40303390d9 100644 --- a/src/constraint_fxd.F +++ b/src/constraint_fxd.F @@ -22,7 +22,6 @@ MODULE constraint_fxd USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE kinds, ONLY: dp diff --git a/src/constraint_util.F b/src/constraint_util.F index e7c4d02407..08b38bf627 100644 --- a/src/constraint_util.F +++ b/src/constraint_util.F @@ -12,7 +12,6 @@ MODULE constraint_util USE cell_types, ONLY: cell_type USE colvar_methods, ONLY: colvar_eval_mol_f USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE kinds, ONLY: dp,& int_size USE mathlib, ONLY: matmul_3x3,& diff --git a/src/constraint_vsite.F b/src/constraint_vsite.F index 8fd25dff79..fffbe35320 100644 --- a/src/constraint_vsite.F +++ b/src/constraint_vsite.F @@ -13,7 +13,6 @@ MODULE constraint_vsite USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE kinds, ONLY: dp diff --git a/src/cp2k_debug.F b/src/cp2k_debug.F index cf4f9382ce..a9a952893d 100644 --- a/src/cp2k_debug.F +++ b/src/cp2k_debug.F @@ -27,7 +27,6 @@ MODULE cp2k_debug USE cp_para_types, ONLY: cp_para_env_type USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type - USE f77_blas USE force_env_methods, ONLY: force_env_calc_energy_force,& force_env_calc_num_pressure USE force_env_types, ONLY: force_env_get,& diff --git a/src/cp2k_info.F b/src/cp2k_info.F index b3f8311cff..3e709036e0 100644 --- a/src/cp2k_info.F +++ b/src/cp2k_info.F @@ -12,7 +12,7 @@ !> \author Joost VandeVondele ! ***************************************************************************** MODULE cp2k_info - USE f77_blas + USE input_constants, ONLY: id_development_version,& id_release_version USE kinds, ONLY: default_path_length,& diff --git a/src/cp_control_types.F b/src/cp_control_types.F index 2e8d88262e..7fc45107c6 100644 --- a/src/cp_control_types.F +++ b/src/cp_control_types.F @@ -10,7 +10,6 @@ MODULE cp_control_types USE cp_fm_types, ONLY: cp_fm_p_type,& cp_fm_release - USE f77_blas USE input_constants, ONLY: do_full_density USE kinds, ONLY: default_path_length,& default_string_length,& diff --git a/src/cp_control_utils.F b/src/cp_control_utils.F index 42dd541ec9..91dc18ee56 100644 --- a/src/cp_control_utils.F +++ b/src/cp_control_utils.F @@ -20,7 +20,6 @@ MODULE cp_control_utils USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: & constant_env, do_admm_basis_projection, do_admm_purify_mcweeny, & do_admm_purify_mo_diag, do_admm_purify_mo_no_diag, & diff --git a/src/cp_dbcsr_cp2k_link.F b/src/cp_dbcsr_cp2k_link.F index 791f74255c..bfb940c968 100644 --- a/src/cp_dbcsr_cp2k_link.F +++ b/src/cp_dbcsr_cp2k_link.F @@ -29,7 +29,6 @@ MODULE cp_dbcsr_cp2k_link dbcsr_type_no_symmetry, has_acc, has_mpi, mm_driver_acc, & mm_driver_blas, mm_driver_matmul, mm_driver_smm, mm_name_acc, & mm_name_blas, mm_name_matmul, mm_name_smm, multrec_limit - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/cp_ddapc.F b/src/cp_ddapc.F index 4888ead867..a31f85afc3 100644 --- a/src/cp_ddapc.F +++ b/src/cp_ddapc.F @@ -29,7 +29,6 @@ MODULE cp_ddapc restraint_functional_potential USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE input_constants, ONLY: do_spin_density USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type diff --git a/src/cp_ddapc_forces.F b/src/cp_ddapc_forces.F index 625d236249..beebbb82e2 100644 --- a/src/cp_ddapc_forces.F +++ b/src/cp_ddapc_forces.F @@ -18,7 +18,6 @@ MODULE cp_ddapc_forces USE cp_control_types, ONLY: ddapc_restraint_type USE cp_para_types, ONLY: cp_para_env_type USE erf_fn, ONLY: erfc - USE f77_blas USE input_constants, ONLY: do_ddapc_constraint,& do_ddapc_restraint,& weight_type_mass,& diff --git a/src/cp_ddapc_methods.F b/src/cp_ddapc_methods.F index 83c8f631a3..0c5e67b5b3 100644 --- a/src/cp_ddapc_methods.F +++ b/src/cp_ddapc_methods.F @@ -11,7 +11,6 @@ MODULE cp_ddapc_methods USE cell_types, ONLY: cell_type USE cp_para_types, ONLY: cp_para_env_type USE erf_fn, ONLY: erfc - USE f77_blas USE input_constants, ONLY: weight_type_mass,& weight_type_unit USE input_section_types, ONLY: section_vals_type,& diff --git a/src/cp_ddapc_types.F b/src/cp_ddapc_types.F index 66f671de24..5865a1792b 100644 --- a/src/cp_ddapc_types.F +++ b/src/cp_ddapc_types.F @@ -18,7 +18,6 @@ MODULE cp_ddapc_types USE cp_output_handling, ONLY: cp_printkey_is_on USE cp_para_types, ONLY: cp_para_env_type USE ewald_spline_util, ONLY: Setup_Ewald_Spline - USE f77_blas USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& section_vals_type,& diff --git a/src/cp_ddapc_util.F b/src/cp_ddapc_util.F index d2ba90277d..954cfc75ac 100644 --- a/src/cp_ddapc_util.F +++ b/src/cp_ddapc_util.F @@ -28,7 +28,6 @@ MODULE cp_ddapc_util USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: do_full_density,& do_spin_density USE input_section_types, ONLY: section_vals_get_subs_vals,& diff --git a/src/cp_external_control.F b/src/cp_external_control.F index ff2ee6dd9f..b1446aae91 100644 --- a/src/cp_external_control.F +++ b/src/cp_external_control.F @@ -14,7 +14,6 @@ MODULE cp_external_control USE cp_files, ONLY: close_file,& open_file - USE f77_blas USE global_types, ONLY: global_environment_type USE kinds, ONLY: default_string_length,& dp diff --git a/src/cp_subsys_methods.F b/src/cp_subsys_methods.F index 5ba46ccb5e..80f6519b26 100644 --- a/src/cp_subsys_methods.F +++ b/src/cp_subsys_methods.F @@ -26,7 +26,6 @@ MODULE cp_subsys_methods cp_subsys_set,& cp_subsys_type USE exclusion_types, ONLY: exclusion_type - USE f77_blas USE input_constants, ONLY: do_conn_off,& do_stress_analytical,& do_stress_diagonal_anal,& diff --git a/src/cp_symmetry.F b/src/cp_symmetry.F index 6d6583ede5..9903ed7d21 100644 --- a/src/cp_symmetry.F +++ b/src/cp_symmetry.F @@ -13,7 +13,6 @@ MODULE cp_symmetry USE cell_types, ONLY: cell_type USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/csvr_system_types.F b/src/csvr_system_types.F index bca3c615c1..7a6f124632 100644 --- a/src/csvr_system_types.F +++ b/src/csvr_system_types.F @@ -13,7 +13,6 @@ MODULE csvr_system_types USE extended_system_types, ONLY: create_map_info_type,& map_info_type,& release_map_info_type - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/csvr_system_utils.F b/src/csvr_system_utils.F index 441d07e9e9..fb875e8655 100644 --- a/src/csvr_system_utils.F +++ b/src/csvr_system_utils.F @@ -10,7 +10,7 @@ ! ***************************************************************************** MODULE csvr_system_utils - USE f77_blas + USE kinds, ONLY: dp USE parallel_rng_types, ONLY: next_random_number,& rng_stream_type diff --git a/src/d3_poly.F b/src/d3_poly.F index e93421e8c5..7de13e1997 100644 --- a/src/d3_poly.F +++ b/src/d3_poly.F @@ -19,7 +19,7 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE d3_poly - USE f77_blas + USE kinds, ONLY: dp !$ USE OMP_LIB diff --git a/src/dft_plus_u.F b/src/dft_plus_u.F index 5501809d60..46d2b49f96 100644 --- a/src/dft_plus_u.F +++ b/src/dft_plus_u.F @@ -49,7 +49,6 @@ MODULE dft_plus_u cp_print_key_unit_nr,& low_print_level USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: plus_u_lowdin,& plus_u_mulliken,& plus_u_mulliken_charges diff --git a/src/distribution_2d_types.F b/src/distribution_2d_types.F index 0e98868462..1a1646c56f 100644 --- a/src/distribution_2d_types.F +++ b/src/distribution_2d_types.F @@ -18,7 +18,6 @@ MODULE distribution_2d_types cp_blacs_env_retain,& cp_blacs_env_type,& cp_blacs_env_write - USE f77_blas USE machine, ONLY: m_flush #include "common/cp_common_uses.f90" diff --git a/src/distribution_methods.F b/src/distribution_methods.F index 827d827cd0..47a3f13f21 100644 --- a/src/distribution_methods.F +++ b/src/distribution_methods.F @@ -36,7 +36,6 @@ MODULE distribution_methods USE distribution_2d_types, ONLY: distribution_2d_create,& distribution_2d_type,& distribution_2d_write - USE f77_blas USE input_constants, ONLY: model_block_count,& model_block_lmax USE input_section_types, ONLY: section_vals_get_subs_vals,& diff --git a/src/dm_ls_chebyshev.F b/src/dm_ls_chebyshev.F index 11e9bbee54..ee4f834916 100644 --- a/src/dm_ls_chebyshev.F +++ b/src/dm_ls_chebyshev.F @@ -22,7 +22,6 @@ MODULE dm_ls_chebyshev cp_print_key_unit_nr USE dm_ls_scf_qs, ONLY: write_matrix_to_cube USE dm_ls_scf_types, ONLY: ls_scf_env_type - USE f77_blas USE input_section_types, ONLY: section_get_ivals,& section_vals_val_get USE kinds, ONLY: default_string_length,& diff --git a/src/dm_ls_scf.F b/src/dm_ls_scf.F index 26946e70ba..4791d38a30 100644 --- a/src/dm_ls_scf.F +++ b/src/dm_ls_scf.F @@ -45,7 +45,6 @@ MODULE dm_ls_scf matrix_ls_to_qs,& matrix_qs_to_ls USE dm_ls_scf_types, ONLY: ls_scf_env_type - USE f77_blas USE input_constants, ONLY: & ls_cluster_atomic, ls_cluster_molecular, ls_s_inversion_hotelling, & ls_s_inversion_sign_sqrt, ls_s_preconditioner_atomic, & diff --git a/src/dm_ls_scf_curvy.F b/src/dm_ls_scf_curvy.F index 2961c658d6..37c874984b 100644 --- a/src/dm_ls_scf_curvy.F +++ b/src/dm_ls_scf_curvy.F @@ -21,7 +21,6 @@ MODULE dm_ls_scf_curvy dbcsr_type_no_symmetry USE dm_ls_scf_types, ONLY: ls_scf_curvy_type,& ls_scf_env_type - USE f77_blas USE input_constants, ONLY: ls_scf_line_search_3point,& ls_scf_line_search_3point_2d USE iterate_matrix, ONLY: purify_mcweeny diff --git a/src/dm_ls_scf_methods.F b/src/dm_ls_scf_methods.F index cdff333b21..8d61ba7925 100644 --- a/src/dm_ls_scf_methods.F +++ b/src/dm_ls_scf_methods.F @@ -23,7 +23,6 @@ MODULE dm_ls_scf_methods USE cp_dbcsr_util, ONLY: lanczos_alg_serial USE dm_ls_scf_types, ONLY: ls_cluster_atomic,& ls_mstruct_type - USE f77_blas USE input_constants, ONLY: ls_s_preconditioner_atomic,& ls_s_preconditioner_molecular,& ls_s_preconditioner_none diff --git a/src/dm_ls_scf_qs.F b/src/dm_ls_scf_qs.F index 408bc832f8..6ead5bc5cc 100644 --- a/src/dm_ls_scf_qs.F +++ b/src/dm_ls_scf_qs.F @@ -32,7 +32,6 @@ MODULE dm_ls_scf_qs ls_cluster_molecular,& ls_mstruct_type,& ls_scf_env_type - USE f77_blas USE kinds, ONLY: dp USE particle_list_types, ONLY: particle_list_type USE particle_types, ONLY: particle_type diff --git a/src/efield_utils.F b/src/efield_utils.F index 0c5e1d43c2..5e14cd0e42 100644 --- a/src/efield_utils.F +++ b/src/efield_utils.F @@ -16,7 +16,6 @@ MODULE efield_utils USE cp_control_types, ONLY: dft_control_type,& efield_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: constant_env,& gaussian_env,& ramp_env diff --git a/src/eip_environment.F b/src/eip_environment.F index b03058dce5..fe33dc3fba 100644 --- a/src/eip_environment.F +++ b/src/eip_environment.F @@ -27,7 +27,6 @@ MODULE eip_environment USE distribution_methods, ONLY: distribute_molecules_1d USE eip_environment_types, ONLY: eip_env_set,& eip_environment_type - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/eip_environment_types.F b/src/eip_environment_types.F index ae98c93f67..666e4c43f9 100644 --- a/src/eip_environment_types.F +++ b/src/eip_environment_types.F @@ -23,7 +23,6 @@ MODULE eip_environment_types cp_subsys_set,& cp_subsys_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE input_section_types, ONLY: section_vals_release,& section_vals_type USE kinds, ONLY: dp diff --git a/src/eip_main.F b/src/eip_main.F index 8e53b61386..3f797c6a95 100644 --- a/src/eip_main.F +++ b/src/eip_main.F @@ -15,7 +15,6 @@ MODULE eip_main USE eip_environment_types, ONLY: eip_env_create,& eip_env_release,& eip_environment_type - USE f77_blas USE force_env_methods, ONLY: force_env_create USE force_env_types, ONLY: force_env_type USE global_types, ONLY: global_environment_type diff --git a/src/eip_silicon.F b/src/eip_silicon.F index 2b5b9a7cbb..60c062953f 100644 --- a/src/eip_silicon.F +++ b/src/eip_silicon.F @@ -27,7 +27,6 @@ MODULE eip_silicon USE distribution_1d_types, ONLY: distribution_1d_type USE eip_environment_types, ONLY: eip_env_get,& eip_environment_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE input_section_types, ONLY: section_vals_get_subs_vals,& diff --git a/src/environment.F b/src/environment.F index 5534a59a01..ca64dd1208 100644 --- a/src/environment.F +++ b/src/environment.F @@ -35,7 +35,6 @@ MODULE environment medium_print_level,& silent_print_level USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE fft_tools, ONLY: fft3d,& finalize_fft,& init_fft diff --git a/src/ep_f77.F b/src/ep_f77.F index 4caca12f80..60db5cfc1f 100644 --- a/src/ep_f77.F +++ b/src/ep_f77.F @@ -10,7 +10,6 @@ ! ***************************************************************************** MODULE ep_f77 USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE global_types, ONLY: global_environment_type USE input_section_types, ONLY: section_type,& section_vals_type diff --git a/src/ep_qs_methods.F b/src/ep_qs_methods.F index 2a76ceceab..4410971add 100644 --- a/src/ep_qs_methods.F +++ b/src/ep_qs_methods.F @@ -11,7 +11,6 @@ ! ***************************************************************************** MODULE ep_qs_methods USE ep_qs_types, ONLY: ep_qs_type - USE f77_blas USE kinds, ONLY: dp USE qs_environment_types, ONLY: qs_environment_type USE timings, ONLY: timeset,& diff --git a/src/ep_qs_types.F b/src/ep_qs_types.F index 22ab592447..964011e6ba 100644 --- a/src/ep_qs_types.F +++ b/src/ep_qs_types.F @@ -13,7 +13,6 @@ MODULE ep_qs_types USE cp_dbcsr_interface, ONLY: cp_dbcsr_deallocate_matrix_set,& cp_dbcsr_p_type - USE f77_blas USE kinds, ONLY: dp USE timings, ONLY: timeset,& timestop diff --git a/src/ep_types.F b/src/ep_types.F index a778d58ee4..b0b75b4211 100644 --- a/src/ep_types.F +++ b/src/ep_types.F @@ -13,7 +13,6 @@ MODULE ep_types USE cp_array_r_utils, ONLY: cp_2d_r_p_type USE cp_fm_types, ONLY: cp_fm_p_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE global_types, ONLY: global_environment_type USE input_section_types, ONLY: section_vals_type USE iso_c_binding diff --git a/src/et_coupling.F b/src/et_coupling.F index e3c2720b6b..52886d088c 100644 --- a/src/et_coupling.F +++ b/src/et_coupling.F @@ -30,7 +30,6 @@ MODULE et_coupling USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: do_spin_density USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type diff --git a/src/et_coupling_types.F b/src/et_coupling_types.F index 06815e778d..4d4eb4d8f4 100644 --- a/src/et_coupling_types.F +++ b/src/et_coupling_types.F @@ -11,7 +11,6 @@ MODULE et_coupling_types USE cp_dbcsr_interface, ONLY: cp_dbcsr_p_type USE cp_fm_types, ONLY: cp_fm_p_type,& cp_fm_release - USE f77_blas USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/ewald_environment_types.F b/src/ewald_environment_types.F index 6679a8b045..67877d8edd 100644 --- a/src/ewald_environment_types.F +++ b/src/ewald_environment_types.F @@ -16,7 +16,6 @@ MODULE ewald_environment_types cp_para_env_retain USE cp_para_types, ONLY: cp_para_env_type USE cp_units, ONLY: cp_unit_from_cp2k - USE f77_blas USE input_cp2k_poisson, ONLY: create_ewald_section USE input_enumeration_types, ONLY: enum_i2c,& enumeration_type diff --git a/src/ewald_pw_methods.F b/src/ewald_pw_methods.F index 850340ccef..d187ea4d06 100644 --- a/src/ewald_pw_methods.F +++ b/src/ewald_pw_methods.F @@ -22,7 +22,6 @@ MODULE ewald_pw_methods USE ewald_pw_types, ONLY: ewald_pw_get,& ewald_pw_set,& ewald_pw_type - USE f77_blas USE input_section_types, ONLY: section_vals_type USE kinds, ONLY: dp,& dp_size diff --git a/src/ewald_pw_types.F b/src/ewald_pw_types.F index 0f1917a755..e25e5fa1a2 100644 --- a/src/ewald_pw_types.F +++ b/src/ewald_pw_types.F @@ -21,7 +21,6 @@ MODULE ewald_pw_types USE dgs, ONLY: dg_pme_grid_setup USE ewald_environment_types, ONLY: ewald_env_get,& ewald_environment_type - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type USE kinds, ONLY: dp diff --git a/src/ewald_spline_util.F b/src/ewald_spline_util.F index 0a51ef7b89..6526a80d1a 100644 --- a/src/ewald_spline_util.F +++ b/src/ewald_spline_util.F @@ -17,7 +17,6 @@ MODULE ewald_spline_util USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/ewalds.F b/src/ewalds.F index 30e1d26bc4..02f9452abd 100644 --- a/src/ewalds.F +++ b/src/ewalds.F @@ -23,7 +23,6 @@ MODULE ewalds ewald_environment_type USE ewald_pw_types, ONLY: ewald_pw_get,& ewald_pw_type - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: fourpi,& oorootpi,& diff --git a/src/ewalds_multipole.F b/src/ewalds_multipole.F index a324adaac0..cd7f9af32c 100644 --- a/src/ewalds_multipole.F +++ b/src/ewalds_multipole.F @@ -29,7 +29,6 @@ MODULE ewalds_multipole ewald_environment_type USE ewald_pw_types, ONLY: ewald_pw_get,& ewald_pw_type - USE f77_blas USE fist_neighbor_list_types, ONLY: fist_neighbor_type,& neighbor_kind_pairs_type USE fist_nonbond_env_types, ONLY: fist_nonbond_env_get,& diff --git a/src/extended_system_types.F b/src/extended_system_types.F index 195b740b67..9de90842ee 100644 --- a/src/extended_system_types.F +++ b/src/extended_system_types.F @@ -16,7 +16,6 @@ MODULE extended_system_types USE bibliography, ONLY: Nose1984a,& Nose1984b,& cite_reference - USE f77_blas USE input_constants, ONLY: do_thermo_no_communication USE input_section_types, ONLY: section_vals_type,& section_vals_val_get diff --git a/src/external_potential_methods.F b/src/external_potential_methods.F index c29932fc74..f090b0430d 100644 --- a/src/external_potential_methods.F +++ b/src/external_potential_methods.F @@ -11,7 +11,6 @@ MODULE external_potential_methods USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_set,& force_env_type diff --git a/src/f77_interface.F b/src/f77_interface.F index 0a067c8ad3..011b7cb827 100644 --- a/src/f77_interface.F +++ b/src/f77_interface.F @@ -51,7 +51,6 @@ MODULE f77_interface cp2k_init,& cp2k_read,& cp2k_setup - USE f77_blas USE fist_main, ONLY: fist_create_force_env USE force_env_methods, ONLY: ep_create_force_env,& force_env_calc_energy_force diff --git a/src/farming_methods.F b/src/farming_methods.F index 214136b50c..c1243e2de1 100644 --- a/src/farming_methods.F +++ b/src/farming_methods.F @@ -10,7 +10,6 @@ MODULE farming_methods cp_print_key_generate_filename,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE farming_types, ONLY: farming_env_type,& init_job_type,& job_finished,& diff --git a/src/farming_types.F b/src/farming_types.F index e183c8b1e9..19c5c3c420 100644 --- a/src/farming_types.F +++ b/src/farming_types.F @@ -5,7 +5,7 @@ ! ***************************************************************************** MODULE farming_types - USE f77_blas + USE kinds, ONLY: default_path_length,& dp #include "./common/cp_common_uses.f90" diff --git a/src/fermi_utils.F b/src/fermi_utils.F index b25f191469..d549f3ca68 100644 --- a/src/fermi_utils.F +++ b/src/fermi_utils.F @@ -9,7 +9,7 @@ !> \date 09.2008 ! ***************************************************************************** MODULE fermi_utils - USE f77_blas + USE kahan_sum, ONLY: accurate_sum USE kinds, ONLY: dp USE timings, ONLY: timeset,& diff --git a/src/fist_energy_types.F b/src/fist_energy_types.F index f58123d9bb..0654b0f5c3 100644 --- a/src/fist_energy_types.F +++ b/src/fist_energy_types.F @@ -10,7 +10,7 @@ ! ***************************************************************************** MODULE fist_energy_types - USE f77_blas + USE kinds, ONLY: dp,& dp_size USE termination, ONLY: stop_memory,& diff --git a/src/fist_environment.F b/src/fist_environment.F index 7a5d5c360f..3feb080d52 100644 --- a/src/fist_environment.F +++ b/src/fist_environment.F @@ -41,7 +41,6 @@ MODULE fist_environment ewald_pw_release,& ewald_pw_type USE exclusion_types, ONLY: exclusion_type - USE f77_blas USE fist_energy_types, ONLY: allocate_fist_energy,& fist_energy_type USE fist_environment_types, ONLY: fist_env_get,& diff --git a/src/fist_environment_types.F b/src/fist_environment_types.F index 5c2fe41a29..b9fb1f39d5 100644 --- a/src/fist_environment_types.F +++ b/src/fist_environment_types.F @@ -36,7 +36,6 @@ MODULE fist_environment_types ewald_pw_type USE exclusion_types, ONLY: exclusion_release,& exclusion_type - USE f77_blas USE fist_energy_types, ONLY: deallocate_fist_energy,& fist_energy_type USE fist_nonbond_env_types, ONLY: fist_nonbond_env_release,& diff --git a/src/fist_force.F b/src/fist_force.F index f3d1c29fbe..e2183759b0 100644 --- a/src/fist_force.F +++ b/src/fist_force.F @@ -38,7 +38,6 @@ MODULE fist_force ewald_self_atom USE ewalds_multipole, ONLY: ewald_multipole_evaluate USE exclusion_types, ONLY: exclusion_type - USE f77_blas USE fist_energy_types, ONLY: fist_energy_type USE fist_environment_types, ONLY: fist_env_get,& fist_environment_type diff --git a/src/fist_intra_force.F b/src/fist_intra_force.F index f0eac157e9..5fc528def9 100644 --- a/src/fist_intra_force.F +++ b/src/fist_intra_force.F @@ -15,7 +15,6 @@ MODULE fist_intra_force USE cell_types, ONLY: cell_type,& pbc USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE kinds, ONLY: dp USE mol_force, ONLY: force_bends,& force_bonds,& diff --git a/src/fist_main.F b/src/fist_main.F index b5c2aa420b..4edec980ac 100644 --- a/src/fist_main.F +++ b/src/fist_main.F @@ -14,7 +14,6 @@ MODULE fist_main USE cp_para_types, ONLY: cp_para_env_type USE cp_subsys_types, ONLY: cp_subsys_type - USE f77_blas USE fist_environment, ONLY: fist_init USE fist_environment_types, ONLY: fist_env_create,& fist_env_release,& diff --git a/src/fist_neighbor_list_control.F b/src/fist_neighbor_list_control.F index ef98bef29d..a48b44c4c7 100644 --- a/src/fist_neighbor_list_control.F +++ b/src/fist_neighbor_list_control.F @@ -23,7 +23,6 @@ MODULE fist_neighbor_list_control USE cp_para_types, ONLY: cp_para_env_type USE distribution_1d_types, ONLY: distribution_1d_type USE exclusion_types, ONLY: exclusion_type - USE f77_blas USE fist_neighbor_list_types, ONLY: fist_neighbor_type USE fist_neighbor_lists, ONLY: build_fist_neighbor_lists USE fist_nonbond_env_types, ONLY: fist_nonbond_env_get,& diff --git a/src/fist_neighbor_list_types.F b/src/fist_neighbor_list_types.F index 91c75f9cf0..2d23175b3e 100644 --- a/src/fist_neighbor_list_types.F +++ b/src/fist_neighbor_list_types.F @@ -11,7 +11,6 @@ MODULE fist_neighbor_list_types USE cell_types, ONLY: cell_type,& pbc USE exclusion_types, ONLY: exclusion_type - USE f77_blas USE kinds, ONLY: dp USE memory_utilities, ONLY: reallocate USE timings, ONLY: timeset,& diff --git a/src/fist_neighbor_lists.F b/src/fist_neighbor_lists.F index 6f1e31dd6d..f3965edcdf 100644 --- a/src/fist_neighbor_lists.F +++ b/src/fist_neighbor_lists.F @@ -32,7 +32,6 @@ MODULE fist_neighbor_lists USE cp_units, ONLY: cp_unit_from_cp2k USE distribution_1d_types, ONLY: distribution_1d_type USE exclusion_types, ONLY: exclusion_type - USE f77_blas USE fist_neighbor_list_types, ONLY: fist_neighbor_add,& fist_neighbor_deallocate,& fist_neighbor_init,& diff --git a/src/fist_nonbond_env_types.F b/src/fist_nonbond_env_types.F index 7393a56d40..c420c8cc42 100644 --- a/src/fist_nonbond_env_types.F +++ b/src/fist_nonbond_env_types.F @@ -12,7 +12,6 @@ MODULE fist_nonbond_env_types USE atomic_kind_types, ONLY: atomic_kind_type USE cell_types, ONLY: cell_release,& cell_type - USE f77_blas USE fist_neighbor_list_types, ONLY: fist_neighbor_deallocate,& fist_neighbor_type USE kinds, ONLY: default_string_length,& diff --git a/src/fist_nonbond_force.F b/src/fist_nonbond_force.F index 15b63bd9d7..1ee40b65f2 100644 --- a/src/fist_nonbond_force.F +++ b/src/fist_nonbond_force.F @@ -23,7 +23,6 @@ MODULE fist_nonbond_force USE distribution_1d_types, ONLY: distribution_1d_type USE ewald_environment_types, ONLY: ewald_env_get,& ewald_environment_type - USE f77_blas USE fist_neighbor_list_types, ONLY: fist_neighbor_type,& neighbor_kind_pairs_type USE fist_nonbond_env_types, ONLY: fist_nonbond_env_get,& diff --git a/src/fm/cp_blacs_calls.F b/src/fm/cp_blacs_calls.F index d8cd59145e..846317d3c8 100644 --- a/src/fm/cp_blacs_calls.F +++ b/src/fm/cp_blacs_calls.F @@ -14,7 +14,7 @@ !> \author Joost VandeVondele ! ***************************************************************************** MODULE cp_blacs_calls - USE f77_blas + USE kinds, ONLY: dp #include "../common/cp_common_uses.f90" diff --git a/src/fm/cp_blacs_env.F b/src/fm/cp_blacs_env.F index a6aa07c384..5dad5cae4d 100644 --- a/src/fm/cp_blacs_env.F +++ b/src/fm/cp_blacs_env.F @@ -19,7 +19,6 @@ MODULE cp_blacs_env USE cp_para_env, ONLY: cp_para_env_release,& cp_para_env_retain USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE kinds, ONLY: dp USE machine, ONLY: m_flush USE mathlib, ONLY: gcd diff --git a/src/fm/cp_cfm_diag.F b/src/fm/cp_cfm_diag.F index a7e91a19d4..e202f4cfba 100644 --- a/src/fm/cp_cfm_diag.F +++ b/src/fm/cp_cfm_diag.F @@ -17,7 +17,6 @@ MODULE cp_cfm_diag USE cp_cfm_types, ONLY: cp_cfm_get_info,& cp_cfm_to_cfm,& cp_cfm_type - USE f77_blas USE kinds, ONLY: dp,& dp_size,& int_size diff --git a/src/fm/cp_fm_pool_types.F b/src/fm/cp_fm_pool_types.F index 0f442d8fd4..c4f4b5e764 100644 --- a/src/fm/cp_fm_pool_types.F +++ b/src/fm/cp_fm_pool_types.F @@ -24,7 +24,6 @@ MODULE cp_fm_pool_types cp_sll_fm_next,& cp_sll_fm_rm_first_el,& cp_sll_fm_type - USE f77_blas #include "../common/cp_common_uses.f90" IMPLICIT NONE diff --git a/src/fm/cp_fm_struct.F b/src/fm/cp_fm_struct.F index 38042af386..3a1bbf0523 100644 --- a/src/fm/cp_fm_struct.F +++ b/src/fm/cp_fm_struct.F @@ -18,7 +18,6 @@ MODULE cp_fm_struct cp_para_env_retain,& cp_para_env_write USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE kinds, ONLY: default_string_length,& dp USE machine, ONLY: m_flush diff --git a/src/fm/cp_fm_vect.F b/src/fm/cp_fm_vect.F index ad34435172..1bf2df5e64 100644 --- a/src/fm/cp_fm_vect.F +++ b/src/fm/cp_fm_vect.F @@ -15,7 +15,6 @@ MODULE cp_fm_vect cp_fm_retain,& cp_fm_set_all,& cp_fm_write - USE f77_blas USE kinds, ONLY: dp #include "../common/cp_common_uses.f90" diff --git a/src/fm/cp_linked_list_fm.F b/src/fm/cp_linked_list_fm.F index bb746947af..d06b8edf5b 100644 --- a/src/fm/cp_linked_list_fm.F +++ b/src/fm/cp_linked_list_fm.F @@ -47,7 +47,6 @@ MODULE cp_linked_list_fm USE cp_fm_types, ONLY: cp_fm_p_type,& cp_fm_type - USE f77_blas USE kinds, ONLY: dp #include "../common/cp_common_uses.f90" diff --git a/src/force_env_methods.F b/src/force_env_methods.F index 610b7c4f15..901aa9622d 100644 --- a/src/force_env_methods.F +++ b/src/force_env_methods.F @@ -56,7 +56,6 @@ MODULE force_env_methods ep_f77_release,& ep_f77_retain USE external_potential_methods, ONLY: add_external_potential - USE f77_blas USE fist_environment_types, ONLY: fist_env_get,& fist_env_retain,& fist_environment_type diff --git a/src/force_env_types.F b/src/force_env_types.F index 3c18dd8e2a..a61e2f25f3 100644 --- a/src/force_env_types.F +++ b/src/force_env_types.F @@ -26,7 +26,6 @@ MODULE force_env_types USE ep_f77, ONLY: ep_f77_get_energy,& ep_f77_get_main_qs_env,& ep_f77_release - USE f77_blas USE fist_energy_types, ONLY: fist_energy_type USE fist_environment_types, ONLY: fist_env_get,& fist_env_release,& diff --git a/src/force_env_utils.F b/src/force_env_utils.F index ff8eb831a0..b5188545a5 100644 --- a/src/force_env_utils.F +++ b/src/force_env_utils.F @@ -17,7 +17,6 @@ MODULE force_env_utils USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE input_section_types, ONLY: section_vals_get,& diff --git a/src/force_field_types.F b/src/force_field_types.F index 8f121558c1..4f308447d7 100644 --- a/src/force_field_types.F +++ b/src/force_field_types.F @@ -14,7 +14,6 @@ MODULE force_field_types USE damping_dipole_types, ONLY: damping_info_type - USE f77_blas USE kinds, ONLY: default_path_length,& default_string_length,& dp diff --git a/src/force_fields.F b/src/force_fields.F index 6bb904419c..c78159f891 100644 --- a/src/force_fields.F +++ b/src/force_fields.F @@ -24,7 +24,6 @@ MODULE force_fields USE cp_para_types, ONLY: cp_para_env_type USE cp_units, ONLY: cp_unit_from_cp2k USE ewald_environment_types, ONLY: ewald_environment_type - USE f77_blas USE fist_nonbond_env_types, ONLY: fist_nonbond_env_type USE force_field_kind_types, ONLY: do_ff_amber,& do_ff_charmm,& diff --git a/src/force_fields_all.F b/src/force_fields_all.F index 56d212eb92..ab8fb07db1 100644 --- a/src/force_fields_all.F +++ b/src/force_fields_all.F @@ -28,7 +28,6 @@ MODULE force_fields_all USE external_potential_types, ONLY: fist_potential_type,& get_potential,& set_potential - USE f77_blas USE force_field_kind_types, ONLY: & allocate_bend_kind_set, allocate_bond_kind_set, & allocate_impr_kind_set, allocate_opbend_kind_set, & diff --git a/src/force_fields_ext.F b/src/force_fields_ext.F index 71d6f6f6a3..b2a1c7ad5c 100644 --- a/src/force_fields_ext.F +++ b/src/force_fields_ext.F @@ -29,7 +29,6 @@ MODULE force_fields_ext parser_create,& parser_release USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE force_field_kind_types, ONLY: do_ff_g96 USE force_field_types, ONLY: amber_info_type,& charmm_info_type,& diff --git a/src/force_fields_input.F b/src/force_fields_input.F index 8dae7b6018..1617fed6a6 100644 --- a/src/force_fields_input.F +++ b/src/force_fields_input.F @@ -31,7 +31,6 @@ MODULE force_fields_input parser_release USE cp_units, ONLY: cp_unit_to_cp2k USE damping_dipole_types, ONLY: damping_info_type - USE f77_blas USE force_field_kind_types, ONLY: do_ff_amber,& do_ff_charmm,& do_ff_g87,& diff --git a/src/force_fields_util.F b/src/force_fields_util.F index 7b48088359..123c565b30 100644 --- a/src/force_fields_util.F +++ b/src/force_fields_util.F @@ -25,7 +25,6 @@ MODULE force_fields_util USE cp_units, ONLY: cp_unit_to_cp2k USE ewald_environment_types, ONLY: ewald_env_get,& ewald_environment_type - USE f77_blas USE fist_nonbond_env_types, ONLY: fist_nonbond_env_create,& fist_nonbond_env_set,& fist_nonbond_env_type diff --git a/src/fp_methods.F b/src/fp_methods.F index 32bb7dbd11..e970034423 100644 --- a/src/fp_methods.F +++ b/src/fp_methods.F @@ -21,7 +21,6 @@ MODULE fp_methods cp_print_key_unit_nr USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type - USE f77_blas USE fp_types, ONLY: fp_type USE kinds, ONLY: dp USE mathconstants, ONLY: fac,& diff --git a/src/fp_types.F b/src/fp_types.F index 4649e9728f..8f2834977e 100644 --- a/src/fp_types.F +++ b/src/fp_types.F @@ -12,7 +12,6 @@ MODULE fp_types USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& section_vals_release,& diff --git a/src/free_energy_types.F b/src/free_energy_types.F index 43897bd0a0..3932acc3c8 100644 --- a/src/free_energy_types.F +++ b/src/free_energy_types.F @@ -9,7 +9,7 @@ !> 01.2007 created [tlaino] Teodoro Laino ! ***************************************************************************** MODULE free_energy_types - USE f77_blas + USE input_constants, ONLY: do_fe_ac,& do_fe_ui USE input_section_types, ONLY: section_vals_get,& diff --git a/src/gauss_colloc.F b/src/gauss_colloc.F index c917fd6283..cdca190da1 100644 --- a/src/gauss_colloc.F +++ b/src/gauss_colloc.F @@ -13,7 +13,6 @@ ! ***************************************************************************** MODULE gauss_colloc USE d3_poly - USE f77_blas USE kinds, ONLY: dp,& int_8 USE lgrid_types, ONLY: lgrid_type diff --git a/src/gaussian_gridlevels.F b/src/gaussian_gridlevels.F index 96812f5ec0..6d67587bd7 100644 --- a/src/gaussian_gridlevels.F +++ b/src/gaussian_gridlevels.F @@ -12,7 +12,6 @@ MODULE gaussian_gridlevels USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_release,& section_vals_retain,& section_vals_type diff --git a/src/gle_system_types.F b/src/gle_system_types.F index ef5c8feeb2..3205c9a299 100644 --- a/src/gle_system_types.F +++ b/src/gle_system_types.F @@ -15,7 +15,6 @@ MODULE gle_system_types USE extended_system_types, ONLY: create_map_info_type,& map_info_type,& release_map_info_type - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/global_types.F b/src/global_types.F index 618d3954a6..4959add4b9 100644 --- a/src/global_types.F +++ b/src/global_types.F @@ -19,7 +19,6 @@ MODULE global_types USE cp_blacs_env, ONLY: BLACS_GRID_SQUARE - USE f77_blas USE kinds, ONLY: default_path_length,& default_string_length,& dp diff --git a/src/graphcon.F b/src/graphcon.F index 526d26b3b6..55fdc38ccc 100644 --- a/src/graphcon.F +++ b/src/graphcon.F @@ -19,7 +19,7 @@ !> \author Joost VandeVondele ! ***************************************************************************** MODULE graphcon - USE f77_blas + USE util, ONLY: sort #include "./common/cp_common_uses.f90" diff --git a/src/harris_energy_types.F b/src/harris_energy_types.F index b13890466a..41bf346b62 100644 --- a/src/harris_energy_types.F +++ b/src/harris_energy_types.F @@ -12,7 +12,7 @@ ! ***************************************************************************** MODULE harris_energy_types - USE f77_blas + USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/harris_env_types.F b/src/harris_env_types.F index d1e11ae712..4cce193449 100644 --- a/src/harris_env_types.F +++ b/src/harris_env_types.F @@ -13,7 +13,7 @@ ! ***************************************************************************** MODULE harris_env_types - USE f77_blas + USE harris_energy_types, ONLY: harris_energy_clear,& harris_energy_release,& harris_energy_type diff --git a/src/harris_force.F b/src/harris_force.F index 7d39ae8dd2..030449a58a 100644 --- a/src/harris_force.F +++ b/src/harris_force.F @@ -15,7 +15,6 @@ MODULE harris_force USE cp_control_types, ONLY: dft_control_type USE cp_dbcsr_interface, ONLY: cp_dbcsr_p_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE global_types, ONLY: global_environment_type USE harris_env_types, ONLY: harris_env_get,& harris_env_type diff --git a/src/harris_force_types.F b/src/harris_force_types.F index eee24cfdde..743841e005 100644 --- a/src/harris_force_types.F +++ b/src/harris_force_types.F @@ -12,7 +12,7 @@ ! ***************************************************************************** MODULE harris_force_types - USE f77_blas + USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/harris_functional.F b/src/harris_functional.F index abd1e75260..79871aba9a 100644 --- a/src/harris_functional.F +++ b/src/harris_functional.F @@ -14,7 +14,6 @@ MODULE harris_functional USE cp_dbcsr_interface, ONLY: cp_dbcsr_p_type,& cp_dbcsr_trace USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE harris_energy_types, ONLY: harris_energy_type USE harris_env_types, ONLY: harris_env_get,& harris_env_type diff --git a/src/header.F b/src/header.F index a83693dd25..cbb62f61d9 100644 --- a/src/header.F +++ b/src/header.F @@ -14,7 +14,6 @@ MODULE header r_host_name,& r_pid,& r_user_name - USE f77_blas USE kinds, ONLY: default_path_length #include "./common/cp_common_uses.f90" diff --git a/src/hfx_communication.F b/src/hfx_communication.F index aef3ad2192..21a441fb75 100644 --- a/src/hfx_communication.F +++ b/src/hfx_communication.F @@ -22,7 +22,6 @@ MODULE hfx_communication cp_dbcsr_p_type,& cp_dbcsr_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE hfx_types, ONLY: hfx_2D_map,& hfx_basis_type,& hfx_type diff --git a/src/hfx_compression_core_methods.F b/src/hfx_compression_core_methods.F index 352d2c4203..d94d76364d 100644 --- a/src/hfx_compression_core_methods.F +++ b/src/hfx_compression_core_methods.F @@ -11,7 +11,7 @@ ! ***************************************************************************** MODULE hfx_compression_core_methods - USE f77_blas + USE kinds, ONLY: int_8 #include "./common/cp_common_uses.f90" diff --git a/src/hfx_compression_methods.F b/src/hfx_compression_methods.F index 6570c09ded..9072ae7626 100644 --- a/src/hfx_compression_methods.F +++ b/src/hfx_compression_methods.F @@ -12,7 +12,6 @@ MODULE hfx_compression_methods USE cp_files, ONLY: close_file,& open_file - USE f77_blas USE hfx_compression_core_methods, ONLY: bits2ints_specific,& ints2bits_specific USE hfx_types, ONLY: hfx_cache_type,& diff --git a/src/hfx_helpers.F b/src/hfx_helpers.F index 978301936d..dd1b9dc4bd 100644 --- a/src/hfx_helpers.F +++ b/src/hfx_helpers.F @@ -17,7 +17,6 @@ MODULE hfx_helpers cp_dbcsr_type,& dbcsr_type_symmetric USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE kinds, ONLY: dp USE message_passing, ONLY: mp_sum #include "./common/cp_common_uses.f90" diff --git a/src/hfx_libint_interface.F b/src/hfx_libint_interface.F index 42165c1ace..8a86159b9b 100644 --- a/src/hfx_libint_interface.F +++ b/src/hfx_libint_interface.F @@ -16,7 +16,6 @@ MODULE hfx_libint_interface USE cell_types, ONLY: cell_type,& real_to_scaled - USE f77_blas USE gamma, ONLY: fgamma=>fgamma_0 USE hfx_contraction_methods, ONLY: contract USE hfx_libint_wrapper, ONLY: get_derivs,& diff --git a/src/hfx_libint_wrapper.F b/src/hfx_libint_wrapper.F index ada6d249b8..70e7d41f78 100644 --- a/src/hfx_libint_wrapper.F +++ b/src/hfx_libint_wrapper.F @@ -21,7 +21,7 @@ MODULE hfx_libint_wrapper build_deriv1_eri_size USE orbital_pointers, ONLY: nco - USE f77_blas + #include "./common/cp_common_uses.f90" IMPLICIT NONE diff --git a/src/hfx_load_balance_methods.F b/src/hfx_load_balance_methods.F index f9a84ef832..62de8dcc1c 100644 --- a/src/hfx_load_balance_methods.F +++ b/src/hfx_load_balance_methods.F @@ -12,7 +12,6 @@ MODULE hfx_load_balance_methods USE cell_types, ONLY: cell_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE hfx_pair_list_methods, ONLY: build_atomic_pair_list,& build_pair_list USE hfx_types, ONLY: & diff --git a/src/hfx_screening_methods.F b/src/hfx_screening_methods.F index 587503bea6..73ed289725 100644 --- a/src/hfx_screening_methods.F +++ b/src/hfx_screening_methods.F @@ -12,7 +12,6 @@ MODULE hfx_screening_methods USE ao_util, ONLY: exp_radius_very_extended USE basis_set_types, ONLY: gto_basis_set_type - USE f77_blas USE hfx_libint_interface, ONLY: evaluate_eri_screen USE hfx_libint_wrapper_types, ONLY: lib_int USE hfx_types, ONLY: hfx_basis_type,& diff --git a/src/hfx_types.F b/src/hfx_types.F index 85c4aea67c..44cef882ec 100644 --- a/src/hfx_types.F +++ b/src/hfx_types.F @@ -30,7 +30,6 @@ MODULE hfx_types USE cp_para_types, ONLY: cp_para_env_type USE cp_units, ONLY: cp_unit_from_cp2k USE erf_fn, ONLY: erfc - USE f77_blas USE hfx_helpers, ONLY: count_cells_perd,& next_image_cell_perd USE hfx_libint_wrapper, ONLY: initialize_libderiv,& diff --git a/src/hirschfeld_methods.F b/src/hirschfeld_methods.F index dfd1ea242e..87fc483ea5 100644 --- a/src/hirschfeld_methods.F +++ b/src/hirschfeld_methods.F @@ -19,7 +19,6 @@ MODULE hirschfeld_methods USE cp_dbcsr_interface, ONLY: cp_dbcsr_p_type USE cp_para_types, ONLY: cp_para_env_type USE cube_utils, ONLY: cube_info_type - USE f77_blas USE hirschfeld_types, ONLY: get_hirschfeld_info,& hirschfeld_type,& set_hirschfeld_info diff --git a/src/hirschfeld_types.F b/src/hirschfeld_types.F index 2d1e7e74ab..5d6aaf7187 100644 --- a/src/hirschfeld_types.F +++ b/src/hirschfeld_types.F @@ -11,7 +11,7 @@ !> \author JGH ! ***************************************************************************** MODULE hirschfeld_types - USE f77_blas + USE input_constants, ONLY: shape_function_gaussian USE kinds, ONLY: dp USE pw_types, ONLY: pw_p_type,& diff --git a/src/input/cp_linked_list_char.F b/src/input/cp_linked_list_char.F index ba943dc69a..fcaf1dd5f8 100644 --- a/src/input/cp_linked_list_char.F +++ b/src/input/cp_linked_list_char.F @@ -44,7 +44,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE cp_linked_list_char - USE f77_blas USE kinds, ONLY: default_string_length #include "../common/cp_common_uses.f90" diff --git a/src/input/cp_linked_list_int.F b/src/input/cp_linked_list_int.F index 1e34c7f907..4991419d69 100644 --- a/src/input/cp_linked_list_int.F +++ b/src/input/cp_linked_list_int.F @@ -44,9 +44,8 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE cp_linked_list_int - USE f77_blas + #include "../common/cp_common_uses.f90" - IMPLICIT NONE PRIVATE diff --git a/src/input/cp_linked_list_logical.F b/src/input/cp_linked_list_logical.F index fc5db99ea2..6d4a2bdfb5 100644 --- a/src/input/cp_linked_list_logical.F +++ b/src/input/cp_linked_list_logical.F @@ -44,9 +44,8 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE cp_linked_list_logical - USE f77_blas + #include "../common/cp_common_uses.f90" - IMPLICIT NONE PRIVATE diff --git a/src/input/cp_linked_list_real.F b/src/input/cp_linked_list_real.F index 1b9627f507..2b87fddc9f 100644 --- a/src/input/cp_linked_list_real.F +++ b/src/input/cp_linked_list_real.F @@ -44,7 +44,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE cp_linked_list_real - USE f77_blas USE kinds, ONLY: dp #include "../common/cp_common_uses.f90" diff --git a/src/input/cp_linked_list_val.F b/src/input/cp_linked_list_val.F index aa28d29a26..32694bd204 100644 --- a/src/input/cp_linked_list_val.F +++ b/src/input/cp_linked_list_val.F @@ -44,7 +44,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE cp_linked_list_val - USE f77_blas USE input_val_types, ONLY: val_p_type,& val_type #include "../common/cp_common_uses.f90" diff --git a/src/input/cp_output_handling.F b/src/input/cp_output_handling.F index fe90e924e9..ffaeb738fc 100644 --- a/src/input/cp_output_handling.F +++ b/src/input/cp_output_handling.F @@ -28,7 +28,6 @@ MODULE cp_output_handling cp_iteration_info_type,& each_desc_labels,& each_possible_labels - USE f77_blas USE input_keyword_types, ONLY: keyword_create,& keyword_release,& keyword_type diff --git a/src/input/cp_parser_buffer_types.F b/src/input/cp_parser_buffer_types.F index 35387f60ab..39176bbd15 100644 --- a/src/input/cp_parser_buffer_types.F +++ b/src/input/cp_parser_buffer_types.F @@ -9,7 +9,7 @@ !> \date 08.2008 ! ***************************************************************************** MODULE cp_parser_buffer_types - USE f77_blas + USE kinds, ONLY: max_line_length #include "../common/cp_common_uses.f90" diff --git a/src/input/cp_parser_ilist_methods.F b/src/input/cp_parser_ilist_methods.F index 89093f36f4..0914c2537c 100644 --- a/src/input/cp_parser_ilist_methods.F +++ b/src/input/cp_parser_ilist_methods.F @@ -14,7 +14,6 @@ ! ***************************************************************************** MODULE cp_parser_ilist_methods USE cp_parser_ilist_types, ONLY: ilist_type - USE f77_blas #include "../common/cp_common_uses.f90" IMPLICIT NONE diff --git a/src/input/cp_parser_ilist_types.F b/src/input/cp_parser_ilist_types.F index 6e613e35c7..95397708d0 100644 --- a/src/input/cp_parser_ilist_types.F +++ b/src/input/cp_parser_ilist_types.F @@ -13,9 +13,9 @@ !> \date 25.02.2008 ! ***************************************************************************** MODULE cp_parser_ilist_types - USE f77_blas -#include "../common/cp_common_uses.f90" + +#include "../common/cp_common_uses.f90" IMPLICIT NONE PRIVATE diff --git a/src/input/cp_parser_inpp_methods.F b/src/input/cp_parser_inpp_methods.F index 3fbc31b69c..115e0b4b81 100644 --- a/src/input/cp_parser_inpp_methods.F +++ b/src/input/cp_parser_inpp_methods.F @@ -18,7 +18,6 @@ MODULE cp_parser_inpp_methods USE cp_files, ONLY: close_file,& open_file USE cp_parser_inpp_types, ONLY: inpp_type - USE f77_blas USE kinds, ONLY: default_path_length,& default_string_length USE machine, ONLY: default_output_unit diff --git a/src/input/cp_parser_inpp_types.F b/src/input/cp_parser_inpp_types.F index 27cddb8584..cb8fcb5cbd 100644 --- a/src/input/cp_parser_inpp_types.F +++ b/src/input/cp_parser_inpp_types.F @@ -13,7 +13,7 @@ !> \date 25.02.2008 ! ***************************************************************************** MODULE cp_parser_inpp_types - USE f77_blas + USE kinds, ONLY: default_path_length #include "../common/cp_common_uses.f90" diff --git a/src/input/cp_parser_methods.F b/src/input/cp_parser_methods.F index 62b2f60c56..d59a7f7818 100644 --- a/src/input/cp_parser_methods.F +++ b/src/input/cp_parser_methods.F @@ -29,7 +29,6 @@ MODULE cp_parser_methods inpp_process_directive USE cp_parser_types, ONLY: cp_parser_type,& parser_reset - USE f77_blas USE kinds, ONLY: default_path_length,& default_string_length,& dp,& diff --git a/src/input/cp_parser_status_types.F b/src/input/cp_parser_status_types.F index cbb1c80b1d..02e70c3854 100644 --- a/src/input/cp_parser_status_types.F +++ b/src/input/cp_parser_status_types.F @@ -12,7 +12,6 @@ MODULE cp_parser_status_types USE cp_parser_buffer_types, ONLY: buffer_type,& create_buffer_type,& release_buffer_type - USE f77_blas USE kinds, ONLY: max_line_length #include "../common/cp_common_uses.f90" diff --git a/src/input/cp_parser_types.F b/src/input/cp_parser_types.F index c404af3c04..e73cc50719 100644 --- a/src/input/cp_parser_types.F +++ b/src/input/cp_parser_types.F @@ -35,7 +35,6 @@ MODULE cp_parser_types USE cp_parser_status_types, ONLY: create_status_type,& release_status_type,& status_type - USE f77_blas USE kinds, ONLY: default_path_length,& default_string_length,& max_line_length diff --git a/src/input/input_enumeration_types.F b/src/input/input_enumeration_types.F index 7c95fcecab..df0622f9aa 100644 --- a/src/input/input_enumeration_types.F +++ b/src/input/input_enumeration_types.F @@ -10,7 +10,7 @@ !> \author fawzi ! ***************************************************************************** MODULE input_enumeration_types - USE f77_blas + USE kinds, ONLY: default_string_length USE string_utilities, ONLY: a2s,& uppercase diff --git a/src/input/input_keyword_types.F b/src/input/input_keyword_types.F index 7d85efca9c..f21311fc5f 100644 --- a/src/input/input_keyword_types.F +++ b/src/input/input_keyword_types.F @@ -14,7 +14,6 @@ MODULE input_keyword_types cp_unit_desc,& cp_unit_release,& cp_unit_type - USE f77_blas USE input_enumeration_types, ONLY: enum_create,& enum_release,& enum_retain,& diff --git a/src/input/input_parsing.F b/src/input/input_parsing.F index 340822673f..6782e31625 100644 --- a/src/input/input_parsing.F +++ b/src/input/input_parsing.F @@ -40,7 +40,6 @@ MODULE input_parsing cp_unit_set_type,& cp_unit_to_cp2k1,& cp_unit_type - USE f77_blas USE input_enumeration_types, ONLY: enum_c2i,& enumeration_type USE input_keyword_types, ONLY: keyword_describe,& diff --git a/src/input/input_section_types.F b/src/input/input_section_types.F index fcb645ec22..dabe997e72 100644 --- a/src/input/input_section_types.F +++ b/src/input/input_section_types.F @@ -16,7 +16,6 @@ MODULE input_section_types cp_sll_val_get_length, cp_sll_val_get_rest, cp_sll_val_insert_el_at, & cp_sll_val_next, cp_sll_val_p_type, cp_sll_val_rm_el_at, & cp_sll_val_set_el_at, cp_sll_val_type - USE f77_blas USE input_keyword_types, ONLY: & enable_color_tags, keyword_describe, keyword_describe_html, & keyword_p_type, keyword_release, keyword_retain, keyword_type, & diff --git a/src/input/input_val_types.F b/src/input/input_val_types.F index b7c60a4d57..10df8ab69a 100644 --- a/src/input/input_val_types.F +++ b/src/input/input_val_types.F @@ -18,7 +18,6 @@ MODULE input_val_types cp_unit_release,& cp_unit_retain,& cp_unit_type - USE f77_blas USE input_enumeration_types, ONLY: enum_i2c,& enum_release,& enum_retain,& diff --git a/src/input_constants.F b/src/input_constants.F index 6eae022648..f923e05b99 100644 --- a/src/input_constants.F +++ b/src/input_constants.F @@ -13,7 +13,7 @@ !> only integer/real global constants ! ***************************************************************************** MODULE input_constants - USE f77_blas + USE kinds, ONLY: dp IMPLICIT NONE diff --git a/src/input_cp2k_almo.F b/src/input_cp2k_almo.F index 75349deacd..c7f9a8c3e7 100644 --- a/src/input_cp2k_almo.F +++ b/src/input_cp2k_almo.F @@ -11,7 +11,6 @@ MODULE input_cp2k_almo USE bibliography, ONLY: Khaliullin2007,& Khaliullin2008,& Khaliullin2013 - USE f77_blas USE input_constants, ONLY: & almo_deloc_none, almo_deloc_scf, almo_deloc_x, almo_deloc_x_then_scf, & almo_deloc_xalmo_1diag, almo_deloc_xalmo_scf, almo_deloc_xalmo_x, & diff --git a/src/input_cp2k_atom.F b/src/input_cp2k_atom.F index 0ce5ad9945..bcb28fc659 100644 --- a/src/input_cp2k_atom.F +++ b/src/input_cp2k_atom.F @@ -13,7 +13,6 @@ MODULE input_cp2k_atom high_print_level,& medium_print_level,& silent_print_level - USE f77_blas USE input_constants, ONLY: & atom_basis_run, atom_energy_run, atom_no_run, atom_pseudo_run, & contracted_gto, do_analytic, do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, & diff --git a/src/input_cp2k_atprop.F b/src/input_cp2k_atprop.F index 30fc9c978a..3c22523504 100644 --- a/src/input_cp2k_atprop.F +++ b/src/input_cp2k_atprop.F @@ -14,7 +14,6 @@ MODULE input_cp2k_atprop USE cp_output_handling, ONLY: add_last_numeric,& cp_print_key_section_create,& low_print_level - USE f77_blas USE input_keyword_types, ONLY: keyword_create,& keyword_release,& keyword_type diff --git a/src/input_cp2k_binary_restarts.F b/src/input_cp2k_binary_restarts.F index 6330f638f5..59f0a8d722 100644 --- a/src/input_cp2k_binary_restarts.F +++ b/src/input_cp2k_binary_restarts.F @@ -18,7 +18,6 @@ MODULE input_cp2k_binary_restarts debug_print_level USE cp_para_types, ONLY: cp_para_env_type USE extended_system_types, ONLY: lnhc_parameters_type - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: default_path_length,& diff --git a/src/input_cp2k_check.F b/src/input_cp2k_check.F index cc924c8341..6212129bbd 100644 --- a/src/input_cp2k_check.F +++ b/src/input_cp2k_check.F @@ -18,7 +18,6 @@ MODULE input_cp2k_check USE cp_units, ONLY: cp_unit_set_create,& cp_unit_set_release,& cp_unit_set_type - USE f77_blas USE input_constants, ONLY: & do_region_global, do_thermo_al, do_thermo_csvr, do_thermo_gle, & do_thermo_nose, do_thermo_same_as_part, id_release_version, & diff --git a/src/input_cp2k_colvar.F b/src/input_cp2k_colvar.F index df6a892d95..bf2d5ebb38 100644 --- a/src/input_cp2k_colvar.F +++ b/src/input_cp2k_colvar.F @@ -18,7 +18,6 @@ MODULE input_cp2k_colvar cp_print_key_section_create,& high_print_level,& low_print_level - USE f77_blas USE input_constants, ONLY: gaussian,& numerical,& rmsd_all,& diff --git a/src/input_cp2k_constraints.F b/src/input_cp2k_constraints.F index 70bc2c25d6..a1ddc5ad01 100644 --- a/src/input_cp2k_constraints.F +++ b/src/input_cp2k_constraints.F @@ -20,7 +20,6 @@ MODULE input_cp2k_constraints use_perd_z USE cp_output_handling, ONLY: cp_print_key_section_create,& high_print_level - USE f77_blas USE input_constants, ONLY: do_constr_atomic,& do_constr_molec,& do_constr_none diff --git a/src/input_cp2k_dft.F b/src/input_cp2k_dft.F index 1dda00a48a..c09096ba49 100644 --- a/src/input_cp2k_dft.F +++ b/src/input_cp2k_dft.F @@ -27,7 +27,6 @@ MODULE input_cp2k_dft medium_print_level,& silent_print_level USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: & atomic_guess, broy_mix, broy_mix_new, cholesky_dbcsr, & cholesky_inverse, cholesky_off, cholesky_reduce, cholesky_restore, & diff --git a/src/input_cp2k_distribution.F b/src/input_cp2k_distribution.F index f92b35ada5..81d63f005e 100644 --- a/src/input_cp2k_distribution.F +++ b/src/input_cp2k_distribution.F @@ -10,7 +10,7 @@ !> \author Joost VandeVondele ! ***************************************************************************** MODULE input_cp2k_distribution - USE f77_blas + USE input_constants, ONLY: model_block_count,& model_block_lmax,& model_block_surface diff --git a/src/input_cp2k_eip.F b/src/input_cp2k_eip.F index b61a898db7..c625007390 100644 --- a/src/input_cp2k_eip.F +++ b/src/input_cp2k_eip.F @@ -13,7 +13,6 @@ MODULE input_cp2k_eip USE cp_output_handling, ONLY: cp_print_key_section_create,& high_print_level,& medium_print_level - USE f77_blas USE input_constants, ONLY: use_bazant_eip,& use_lenosky_eip USE input_keyword_types, ONLY: keyword_create,& diff --git a/src/input_cp2k_force_eval.F b/src/input_cp2k_force_eval.F index fbb1e90026..cda655faf9 100644 --- a/src/input_cp2k_force_eval.F +++ b/src/input_cp2k_force_eval.F @@ -16,7 +16,6 @@ MODULE input_cp2k_force_eval low_print_level,& medium_print_level USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: & do_eip, do_ep, do_fist, do_mixed, do_qmmm, do_qs, & do_stress_analytical, do_stress_diagonal_anal, & diff --git a/src/input_cp2k_free_energy.F b/src/input_cp2k_free_energy.F index f75cb7f48e..82c9a79082 100644 --- a/src/input_cp2k_free_energy.F +++ b/src/input_cp2k_free_energy.F @@ -16,7 +16,6 @@ MODULE input_cp2k_free_energy high_print_level,& low_print_level USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: & do_fe_ac, do_fe_meta, do_fe_ui, do_wall_gaussian, do_wall_m, & do_wall_none, do_wall_p, do_wall_quadratic, do_wall_quartic, & diff --git a/src/input_cp2k_global.F b/src/input_cp2k_global.F index 17f4c51cc1..79ad2ea170 100644 --- a/src/input_cp2k_global.F +++ b/src/input_cp2k_global.F @@ -33,7 +33,6 @@ MODULE input_cp2k_global low_print_level,& medium_print_level,& silent_print_level - USE f77_blas USE input_constants, ONLY: & bsse_run, callgraph_all, callgraph_master, callgraph_none, & cell_opt_run, debug_run, do_atom, do_band, do_cp2k, do_dbcsr, & diff --git a/src/input_cp2k_hfx.F b/src/input_cp2k_hfx.F index 7035e108e0..71c913065a 100644 --- a/src/input_cp2k_hfx.F +++ b/src/input_cp2k_hfx.F @@ -16,7 +16,6 @@ MODULE input_cp2k_hfx cp_print_key_section_create,& high_print_level,& medium_print_level - USE f77_blas USE input_constants, ONLY: & do_hfx_potential_coulomb, do_hfx_potential_gaussian, & do_hfx_potential_id, do_hfx_potential_long, do_hfx_potential_mix_cl, & diff --git a/src/input_cp2k_kpoints.F b/src/input_cp2k_kpoints.F index 38afd28f0c..9c13a423a8 100644 --- a/src/input_cp2k_kpoints.F +++ b/src/input_cp2k_kpoints.F @@ -10,7 +10,7 @@ !> \author JGH ! ***************************************************************************** MODULE input_cp2k_kpoints - USE f77_blas + USE input_keyword_types, ONLY: keyword_create,& keyword_release,& keyword_type diff --git a/src/input_cp2k_ls.F b/src/input_cp2k_ls.F index 4b0c3953ab..1f52e56c4e 100644 --- a/src/input_cp2k_ls.F +++ b/src/input_cp2k_ls.F @@ -13,7 +13,6 @@ MODULE input_cp2k_ls VandeVondele2012 USE cp_output_handling, ONLY: cp_print_key_section_create,& high_print_level - USE f77_blas USE input_constants, ONLY: & ls_cluster_atomic, ls_cluster_molecular, ls_s_inversion_hotelling, & ls_s_inversion_sign_sqrt, ls_s_preconditioner_atomic, & diff --git a/src/input_cp2k_mixed.F b/src/input_cp2k_mixed.F index 7a950d33ed..48be30b1f0 100644 --- a/src/input_cp2k_mixed.F +++ b/src/input_cp2k_mixed.F @@ -14,7 +14,6 @@ MODULE input_cp2k_mixed cp_print_key_section_create,& low_print_level,& medium_print_level - USE f77_blas USE input_constants, ONLY: mix_coupled,& mix_generic,& mix_linear_combination,& diff --git a/src/input_cp2k_mm.F b/src/input_cp2k_mm.F index 8a7982bdf2..f569a4b33a 100644 --- a/src/input_cp2k_mm.F +++ b/src/input_cp2k_mm.F @@ -22,7 +22,6 @@ MODULE input_cp2k_mm medium_print_level,& silent_print_level USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE force_field_kind_types, ONLY: & do_ff_amber, do_ff_charmm, do_ff_cubic, do_ff_fues, do_ff_g87, & do_ff_g96, do_ff_harmonic, do_ff_mixed_bend_stretch, do_ff_mm2, & diff --git a/src/input_cp2k_motion_print.F b/src/input_cp2k_motion_print.F index 59a2fa5291..9ddab1db51 100644 --- a/src/input_cp2k_motion_print.F +++ b/src/input_cp2k_motion_print.F @@ -14,7 +14,6 @@ MODULE input_cp2k_motion_print high_print_level,& low_print_level,& silent_print_level - USE f77_blas USE input_constants, ONLY: dump_atomic,& dump_dcd,& dump_dcd_aligned_cell,& diff --git a/src/input_cp2k_mp2.F b/src/input_cp2k_mp2.F index c2ffc223de..253fcecfeb 100644 --- a/src/input_cp2k_mp2.F +++ b/src/input_cp2k_mp2.F @@ -19,7 +19,6 @@ MODULE input_cp2k_mp2 low_print_level,& medium_print_level,& silent_print_level - USE f77_blas USE input_constants, ONLY: & do_hfx_potential_coulomb, do_mp2_potential_tshpsc, gaussian, & mp2_method_direct, mp2_method_gpw, mp2_method_none, & diff --git a/src/input_cp2k_neb.F b/src/input_cp2k_neb.F index b1968866fd..13f2e07666 100644 --- a/src/input_cp2k_neb.F +++ b/src/input_cp2k_neb.F @@ -22,7 +22,6 @@ MODULE input_cp2k_neb low_print_level,& medium_print_level USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: & band_diis_opt, band_md_opt, do_b_neb, do_ci_neb, do_d_neb, do_eb, & do_it_neb, do_rep_blocked, do_rep_interleaved, do_sm, pot_neb_fe, & diff --git a/src/input_cp2k_poisson.F b/src/input_cp2k_poisson.F index 86c10151f9..2a09fcacd6 100644 --- a/src/input_cp2k_poisson.F +++ b/src/input_cp2k_poisson.F @@ -26,7 +26,6 @@ MODULE input_cp2k_poisson low_print_level,& medium_print_level USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: do_fist_pol_cg,& do_fist_pol_none,& do_fist_pol_sc diff --git a/src/input_cp2k_properties_dft.F b/src/input_cp2k_properties_dft.F index f72b4a6660..85124ed5d1 100644 --- a/src/input_cp2k_properties_dft.F +++ b/src/input_cp2k_properties_dft.F @@ -20,7 +20,6 @@ MODULE input_cp2k_properties_dft high_print_level,& low_print_level USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: & current_gauge_atom, current_gauge_r, current_gauge_r_and_step_func, & current_orb_center_atom, current_orb_center_box, & diff --git a/src/input_cp2k_qmmm.F b/src/input_cp2k_qmmm.F index 70c69d07fa..ae87ed1223 100644 --- a/src/input_cp2k_qmmm.F +++ b/src/input_cp2k_qmmm.F @@ -26,7 +26,6 @@ MODULE input_cp2k_qmmm medium_print_level,& silent_print_level USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: & alpha_imomm_default, charge_scale_factor, do_fm_mom_conserv_buffer, & do_fm_mom_conserv_core, do_fm_mom_conserv_equal_a, & diff --git a/src/input_cp2k_read.F b/src/input_cp2k_read.F index 4abc76cfec..3454ff0f82 100644 --- a/src/input_cp2k_read.F +++ b/src/input_cp2k_read.F @@ -19,7 +19,6 @@ MODULE input_cp2k_read USE cp_units, ONLY: cp_unit_set_create,& cp_unit_set_release,& cp_unit_set_type - USE f77_blas USE input_parsing, ONLY: section_vals_parse USE input_section_types, ONLY: section_type,& section_vals_create,& diff --git a/src/input_cp2k_resp.F b/src/input_cp2k_resp.F index d05feffa5e..b350fc84da 100644 --- a/src/input_cp2k_resp.F +++ b/src/input_cp2k_resp.F @@ -15,7 +15,6 @@ MODULE input_cp2k_resp high_print_level,& low_print_level USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: do_resp_minus_x_dir,& do_resp_minus_y_dir,& do_resp_minus_z_dir,& diff --git a/src/input_cp2k_restarts_util.F b/src/input_cp2k_restarts_util.F index 0b3a19c3a7..b5c3c870f1 100644 --- a/src/input_cp2k_restarts_util.F +++ b/src/input_cp2k_restarts_util.F @@ -7,7 +7,6 @@ MODULE input_cp2k_restarts_util USE cp_linked_list_val, ONLY: cp_sll_val_create,& cp_sll_val_get_length,& cp_sll_val_type - USE f77_blas USE input_section_types, ONLY: section_get_keyword_index,& section_type,& section_vals_add_values,& diff --git a/src/input_cp2k_rsgrid.F b/src/input_cp2k_rsgrid.F index 6a14092839..2cc9f0c506 100644 --- a/src/input_cp2k_rsgrid.F +++ b/src/input_cp2k_rsgrid.F @@ -9,7 +9,7 @@ !> \author Joost ! ***************************************************************************** MODULE input_cp2k_rsgrid - USE f77_blas + USE input_keyword_types, ONLY: keyword_create,& keyword_release,& keyword_type diff --git a/src/input_cp2k_subsys.F b/src/input_cp2k_subsys.F index bd7e73705b..76df5dc020 100644 --- a/src/input_cp2k_subsys.F +++ b/src/input_cp2k_subsys.F @@ -28,7 +28,6 @@ MODULE input_cp2k_subsys high_print_level,& medium_print_level USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: & do_add, do_bondparm_covalent, do_bondparm_vdw, do_cell_cp2k, & do_cell_xsc, do_conn_amb7, do_conn_g87, do_conn_g96, do_conn_generate, & diff --git a/src/input_cp2k_thermostats.F b/src/input_cp2k_thermostats.F index e7b8a851cd..8d6fbacbb5 100644 --- a/src/input_cp2k_thermostats.F +++ b/src/input_cp2k_thermostats.F @@ -19,7 +19,6 @@ MODULE input_cp2k_thermostats high_print_level,& low_print_level USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: & do_constr_atomic, do_constr_molec, do_constr_none, do_region_defined, & do_region_global, do_region_massive, do_region_molecule, & diff --git a/src/input_cp2k_xc.F b/src/input_cp2k_xc.F index 69f6a835fc..3f45dd5019 100644 --- a/src/input_cp2k_xc.F +++ b/src/input_cp2k_xc.F @@ -18,7 +18,6 @@ MODULE input_cp2k_xc USE cp_output_handling, ONLY: add_last_numeric,& cp_print_key_section_create,& high_print_level - USE f77_blas USE input_constants, ONLY: & do_adiabatic_hybrid_mcy3, do_adiabatic_model_pade, gaussian, slater, & vdw_nl_drsll, vdw_nl_lmkll, vdw_nl_rvv10, vdw_pairpot_dftd2, & diff --git a/src/input_optimize_basis.F b/src/input_optimize_basis.F index c87652e5f2..44fae17d86 100644 --- a/src/input_optimize_basis.F +++ b/src/input_optimize_basis.F @@ -10,7 +10,7 @@ !> \author Florian Schiffmann ! ***************************************************************************** MODULE input_optimize_basis - USE f77_blas + USE input_constants, ONLY: do_opt_all,& do_opt_coeff,& do_opt_exps,& diff --git a/src/input_optimize_input.F b/src/input_optimize_input.F index 6dfef43a97..26374d48a1 100644 --- a/src/input_optimize_input.F +++ b/src/input_optimize_input.F @@ -12,7 +12,6 @@ MODULE input_optimize_input USE cp_output_handling, ONLY: cp_print_key_section_create,& low_print_level - USE f77_blas USE input_constants, ONLY: opt_force_matching USE input_keyword_types, ONLY: keyword_create,& keyword_release,& diff --git a/src/input_restart_force_eval.F b/src/input_restart_force_eval.F index 31461cc0bb..edb19f6fe8 100644 --- a/src/input_restart_force_eval.F +++ b/src/input_restart_force_eval.F @@ -20,7 +20,6 @@ MODULE input_restart_force_eval USE distribution_1d_types, ONLY: distribution_1d_type USE eip_environment_types, ONLY: eip_env_get USE ep_f77, ONLY: ep_f77_get_main_qs_env - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type,& multiple_fe_list,& diff --git a/src/input_restart_rng.F b/src/input_restart_rng.F index 9f13013e68..9646eb5037 100644 --- a/src/input_restart_rng.F +++ b/src/input_restart_rng.F @@ -7,7 +7,6 @@ MODULE input_restart_rng USE cp_linked_list_val, ONLY: cp_sll_val_create,& cp_sll_val_get_length,& cp_sll_val_type - USE f77_blas USE input_section_types, ONLY: section_get_keyword_index,& section_type,& section_vals_add_values,& diff --git a/src/iterate_matrix.F b/src/iterate_matrix.F index d6ed209b8a..b94c473f21 100644 --- a/src/iterate_matrix.F +++ b/src/iterate_matrix.F @@ -20,7 +20,6 @@ MODULE iterate_matrix cp_dbcsr_type, dbcsr_arnoldi_data, dbcsr_norm_maxabsnorm, & dbcsr_type_no_symmetry, deallocate_arnoldi_data, get_selected_ritz_val USE cp_dbcsr_util, ONLY: lanczos_alg_serial - USE f77_blas USE kinds, ONLY: dp,& int_8 USE machine, ONLY: m_flush,& diff --git a/src/k290.F b/src/k290.F index 7ca340a6c2..890b10c3d2 100644 --- a/src/k290.F +++ b/src/k290.F @@ -8,7 +8,7 @@ !> \author jgh ! ***************************************************************************** MODULE k290 - USE f77_blas + USE kinds, ONLY: dp USE mathlib, ONLY: invmat USE string_utilities, ONLY: xstring diff --git a/src/kg_correction.F b/src/kg_correction.F index 694e7a7a89..9476f4916a 100644 --- a/src/kg_correction.F +++ b/src/kg_correction.F @@ -14,7 +14,6 @@ MODULE kg_correction USE cp_dbcsr_interface, ONLY: cp_dbcsr_add,& cp_dbcsr_p_type,& cp_dbcsr_trace - USE f77_blas USE input_constants, ONLY: kg_tnadd_atomic,& kg_tnadd_embed USE kg_environment_types, ONLY: kg_environment_type diff --git a/src/kg_environment.F b/src/kg_environment.F index cd9c90ac8c..bb59ad03b1 100644 --- a/src/kg_environment.F +++ b/src/kg_environment.F @@ -18,7 +18,6 @@ MODULE kg_environment USE distribution_2d_types, ONLY: distribution_2d_type USE external_potential_types, ONLY: get_potential,& local_potential_type - USE f77_blas USE input_constants, ONLY: kg_tnadd_atomic,& kg_tnadd_embed,& xc_funct_no_shortcut diff --git a/src/kg_environment_types.F b/src/kg_environment_types.F index 9040ed8501..7fabe4bd37 100644 --- a/src/kg_environment_types.F +++ b/src/kg_environment_types.F @@ -12,7 +12,6 @@ MODULE kg_environment_types USE cp_dbcsr_interface, ONLY: cp_dbcsr_deallocate_matrix_set,& cp_dbcsr_p_type - USE f77_blas USE input_section_types, ONLY: section_vals_release,& section_vals_type USE molecule_types_new, ONLY: molecule_type diff --git a/src/kg_vertex_coloring_methods.F b/src/kg_vertex_coloring_methods.F index 604138add6..e6525f397b 100644 --- a/src/kg_vertex_coloring_methods.F +++ b/src/kg_vertex_coloring_methods.F @@ -17,7 +17,6 @@ MODULE kg_vertex_coloring_methods USE bibliography, ONLY: Brelaz1979,& cite_reference - USE f77_blas USE input_constants, ONLY: kg_color_dsatur,& kg_color_greedy USE kg_environment_types, ONLY: kg_environment_type diff --git a/src/kpoint_methods.F b/src/kpoint_methods.F index fca2c55bb5..e34345cb93 100644 --- a/src/kpoint_methods.F +++ b/src/kpoint_methods.F @@ -38,7 +38,6 @@ MODULE kpoint_methods cp_para_env_retain USE cp_para_types, ONLY: cp_para_cart_type,& cp_para_env_type - USE f77_blas USE fermi_utils, ONLY: fermikp USE k290, ONLY: csym_type,& kp_sym_gen,& diff --git a/src/kpoint_types.F b/src/kpoint_types.F index 04887f5969..7cbe8bb1ee 100644 --- a/src/kpoint_types.F +++ b/src/kpoint_types.F @@ -22,7 +22,6 @@ MODULE kpoint_types cp_para_env_release USE cp_para_types, ONLY: cp_para_cart_type,& cp_para_env_type - USE f77_blas USE input_cp2k_kpoints, ONLY: use_complex_wfn,& use_real_wfn USE input_section_types, ONLY: section_vals_get,& diff --git a/src/lri_ks_methods.F b/src/lri_ks_methods.F index 3852b9c11a..8ca1f3e26b 100644 --- a/src/lri_ks_methods.F +++ b/src/lri_ks_methods.F @@ -24,7 +24,6 @@ MODULE lri_ks_methods cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type USE cp_realspace_grid_cube, ONLY: cp_pw_to_cube - USE f77_blas USE input_section_types, ONLY: section_get_ivals,& section_get_lval,& section_vals_get_subs_vals,& diff --git a/src/manybody_eam.F b/src/manybody_eam.F index 7a1f3ba7c2..3f7b84a4fb 100644 --- a/src/manybody_eam.F +++ b/src/manybody_eam.F @@ -14,7 +14,6 @@ MODULE manybody_eam cite_reference USE cell_types, ONLY: cell_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE fist_neighbor_list_types, ONLY: fist_neighbor_type,& neighbor_kind_pairs_type USE fist_nonbond_env_types, ONLY: eam_type,& diff --git a/src/manybody_potential.F b/src/manybody_potential.F index 8631fc61a0..f1d317eed5 100644 --- a/src/manybody_potential.F +++ b/src/manybody_potential.F @@ -18,7 +18,6 @@ MODULE manybody_potential USE cell_types, ONLY: cell_type USE cp_para_types, ONLY: cp_para_env_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE fist_neighbor_list_types, ONLY: fist_neighbor_type,& neighbor_kind_pairs_type USE fist_nonbond_env_types, ONLY: eam_type,& diff --git a/src/manybody_siepmann.F b/src/manybody_siepmann.F index 1d9c066084..3541396a37 100644 --- a/src/manybody_siepmann.F +++ b/src/manybody_siepmann.F @@ -19,7 +19,6 @@ MODULE manybody_siepmann USE atomic_kind_types, ONLY: get_atomic_kind USE cell_types, ONLY: cell_type,& pbc - USE f77_blas USE fist_neighbor_list_types, ONLY: fist_neighbor_type,& neighbor_kind_pairs_type USE fist_nonbond_env_types, ONLY: pos_type diff --git a/src/manybody_tersoff.F b/src/manybody_tersoff.F index 4a6144bd20..979c2e0006 100644 --- a/src/manybody_tersoff.F +++ b/src/manybody_tersoff.F @@ -11,7 +11,6 @@ MODULE manybody_tersoff USE cell_types, ONLY: cell_type - USE f77_blas USE fist_neighbor_list_types, ONLY: fist_neighbor_type,& neighbor_kind_pairs_type USE fist_nonbond_env_types, ONLY: pos_type diff --git a/src/metadynamics.F b/src/metadynamics.F index 2e14bae6d1..0f7e6e212d 100644 --- a/src/metadynamics.F +++ b/src/metadynamics.F @@ -23,7 +23,6 @@ MODULE metadynamics cp_rm_iter_level USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE input_constants, ONLY: do_wall_m,& diff --git a/src/metadynamics_types.F b/src/metadynamics_types.F index c1b6d8e41e..7bc7b58395 100644 --- a/src/metadynamics_types.F +++ b/src/metadynamics_types.F @@ -12,7 +12,6 @@ MODULE metadynamics_types USE cp_para_env, ONLY: cp_para_env_release,& cp_para_env_retain USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: default_path_length,& diff --git a/src/metadynamics_utils.F b/src/metadynamics_utils.F index a227beba95..d3e60346b4 100644 --- a/src/metadynamics_utils.F +++ b/src/metadynamics_utils.F @@ -16,7 +16,6 @@ MODULE metadynamics_utils cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type USE cp_subsys_types, ONLY: cp_subsys_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE input_constants, ONLY: do_fe_meta,& diff --git a/src/mixed_energy_types.F b/src/mixed_energy_types.F index 2dd10cc19e..0c970e93b5 100644 --- a/src/mixed_energy_types.F +++ b/src/mixed_energy_types.F @@ -9,7 +9,7 @@ ! ***************************************************************************** MODULE mixed_energy_types - USE f77_blas + USE kinds, ONLY: dp USE termination, ONLY: stop_program #include "./common/cp_common_uses.f90" diff --git a/src/mixed_environment.F b/src/mixed_environment.F index 96d47a5cca..fd7a0de9d3 100644 --- a/src/mixed_environment.F +++ b/src/mixed_environment.F @@ -22,7 +22,6 @@ MODULE mixed_environment USE distribution_1d_types, ONLY: distribution_1d_release,& distribution_1d_type USE distribution_methods, ONLY: distribute_molecules_1d - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type USE kinds, ONLY: dp diff --git a/src/mixed_environment_types.F b/src/mixed_environment_types.F index f91d6b26cb..05b7d6fca2 100644 --- a/src/mixed_environment_types.F +++ b/src/mixed_environment_types.F @@ -25,7 +25,6 @@ MODULE mixed_environment_types cp_subsys_set,& cp_subsys_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE input_section_types, ONLY: section_vals_release,& section_vals_retain,& section_vals_type diff --git a/src/mixed_environment_utils.F b/src/mixed_environment_utils.F index 87e6882a97..550f14b052 100644 --- a/src/mixed_environment_utils.F +++ b/src/mixed_environment_utils.F @@ -15,7 +15,6 @@ MODULE mixed_environment_utils test_for_result USE cp_result_types, ONLY: cp_result_p_type,& cp_result_type - USE f77_blas USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& section_vals_type,& diff --git a/src/mixed_main.F b/src/mixed_main.F index 99ecdd160d..d45b7d74b0 100644 --- a/src/mixed_main.F +++ b/src/mixed_main.F @@ -12,7 +12,6 @@ MODULE mixed_main USE cp_output_handling, ONLY: cp_print_key_unit_nr USE cp_para_env, ONLY: cp_para_env_create USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE force_env_methods, ONLY: force_env_create USE force_env_types, ONLY: force_env_type USE global_types, ONLY: global_environment_type diff --git a/src/mm_collocate_potential.F b/src/mm_collocate_potential.F index 5b7e96b0af..8e86a0245c 100644 --- a/src/mm_collocate_potential.F +++ b/src/mm_collocate_potential.F @@ -15,7 +15,6 @@ MODULE mm_collocate_potential USE cell_types, ONLY: cell_type USE cube_utils, ONLY: cube_info_type,& return_cube - USE f77_blas USE kinds, ONLY: dp USE pw_types, ONLY: pw_type #include "./common/cp_common_uses.f90" diff --git a/src/mm_mapping_library.F b/src/mm_mapping_library.F index 433bdb6e53..7428092a16 100644 --- a/src/mm_mapping_library.F +++ b/src/mm_mapping_library.F @@ -14,7 +14,7 @@ !> \author Teodoro Laino ! ***************************************************************************** MODULE mm_mapping_library - USE f77_blas + USE kinds, ONLY: default_string_length #include "./common/cp_common_uses.f90" diff --git a/src/mol_force.F b/src/mol_force.F index 0b29669215..ddc6345250 100644 --- a/src/mol_force.F +++ b/src/mol_force.F @@ -9,7 +9,7 @@ !> \author CJM ! ***************************************************************************** MODULE mol_force - USE f77_blas + USE force_field_kind_types, ONLY: & do_ff_amber, do_ff_charmm, do_ff_cubic, do_ff_fues, do_ff_g87, & do_ff_g96, do_ff_harmonic, do_ff_mixed_bend_stretch, do_ff_mm2, & diff --git a/src/molecular_states.F b/src/molecular_states.F index 6a5bbaf125..11aa0f3aa6 100644 --- a/src/molecular_states.F +++ b/src/molecular_states.F @@ -32,7 +32,6 @@ MODULE molecular_states cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type USE cp_realspace_grid_cube, ONLY: cp_pw_to_cube - USE f77_blas USE input_section_types, ONLY: section_get_ivals,& section_vals_type,& section_vals_val_get diff --git a/src/molsym.F b/src/molsym.F index f6fd301f17..b03daccad2 100644 --- a/src/molsym.F +++ b/src/molsym.F @@ -10,7 +10,7 @@ !> \author jgh ! ***************************************************************************** MODULE molsym - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: pi USE mathlib, ONLY: angle,& diff --git a/src/moments_utils.F b/src/moments_utils.F index efe9be1efd..213e05e81d 100644 --- a/src/moments_utils.F +++ b/src/moments_utils.F @@ -17,7 +17,6 @@ MODULE moments_utils pbc USE cp_para_types, ONLY: cp_para_env_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE fist_environment_types, ONLY: fist_env_get,& fist_environment_type USE input_constants, ONLY: use_mom_ref_coac,& diff --git a/src/motion/al_system_dynamics.F b/src/motion/al_system_dynamics.F index 71609fcad5..43d67f13f9 100644 --- a/src/motion/al_system_dynamics.F +++ b/src/motion/al_system_dynamics.F @@ -13,7 +13,6 @@ MODULE al_system_dynamics get_atomic_kind USE distribution_1d_types, ONLY: distribution_1d_type USE extended_system_types, ONLY: map_info_type - USE f77_blas USE kinds, ONLY: dp USE molecule_kind_types, ONLY: molecule_kind_type USE molecule_types_new, ONLY: get_molecule,& diff --git a/src/motion/al_system_init.F b/src/motion/al_system_init.F index 6abea1e232..0544d6372f 100644 --- a/src/motion/al_system_init.F +++ b/src/motion/al_system_init.F @@ -12,7 +12,6 @@ MODULE al_system_init USE al_system_types, ONLY: al_system_type USE cp_para_types, ONLY: cp_para_env_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& section_vals_type,& diff --git a/src/motion/al_system_mapping.F b/src/motion/al_system_mapping.F index 9d9b3811fc..21e21c3833 100644 --- a/src/motion/al_system_mapping.F +++ b/src/motion/al_system_mapping.F @@ -13,7 +13,6 @@ MODULE al_system_mapping USE cp_para_types, ONLY: cp_para_env_type USE distribution_1d_types, ONLY: distribution_1d_type USE extended_system_types, ONLY: map_info_type - USE f77_blas USE input_constants, ONLY: & do_thermo_communication, do_thermo_no_communication, isokin_ensemble, & langevin_ensemble, npe_f_ensemble, npe_i_ensemble, & diff --git a/src/motion/averages_types.F b/src/motion/averages_types.F index 1110505e29..1fdf096b3c 100644 --- a/src/motion/averages_types.F +++ b/src/motion/averages_types.F @@ -13,7 +13,6 @@ MODULE averages_types number_of_colvar USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE force_env_types, ONLY: force_env_type USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& diff --git a/src/motion/barostat_types.F b/src/motion/barostat_types.F index a306144059..db5f0fef2c 100644 --- a/src/motion/barostat_types.F +++ b/src/motion/barostat_types.F @@ -11,7 +11,6 @@ MODULE barostat_types USE cell_types, ONLY: cell_type USE extended_system_init, ONLY: initialize_npt USE extended_system_types, ONLY: npt_info_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE global_types, ONLY: global_environment_type diff --git a/src/motion/barostat_utils.F b/src/motion/barostat_utils.F index a92f3b0c0a..eb4699e450 100644 --- a/src/motion/barostat_utils.F +++ b/src/motion/barostat_utils.F @@ -13,7 +13,6 @@ MODULE barostat_utils USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr USE extended_system_types, ONLY: npt_info_type - USE f77_blas USE input_constants, ONLY: npe_f_ensemble,& npe_i_ensemble,& nph_uniaxial_damped_ensemble,& diff --git a/src/motion/cell_opt.F b/src/motion/cell_opt.F index a3ce93b27a..a235adff00 100644 --- a/src/motion/cell_opt.F +++ b/src/motion/cell_opt.F @@ -15,7 +15,6 @@ MODULE cell_opt USE cp_output_handling, ONLY: cp_add_iter_level,& cp_iterate,& cp_rm_iter_level - USE f77_blas USE force_env_types, ONLY: force_env_type USE global_types, ONLY: global_environment_type USE gopt_f_methods, ONLY: gopt_f_create_x0 diff --git a/src/motion/cell_opt_types.F b/src/motion/cell_opt_types.F index fac17c820f..651c8efab4 100644 --- a/src/motion/cell_opt_types.F +++ b/src/motion/cell_opt_types.F @@ -18,7 +18,6 @@ MODULE cell_opt_types cell_type USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE input_section_types, ONLY: section_vals_type,& diff --git a/src/motion/cell_opt_utils.F b/src/motion/cell_opt_utils.F index b99d7646e7..c9b238c091 100644 --- a/src/motion/cell_opt_utils.F +++ b/src/motion/cell_opt_utils.F @@ -19,7 +19,6 @@ MODULE cell_opt_utils open_file USE cp_para_types, ONLY: cp_para_env_type USE cp_units, ONLY: cp_units_rad - USE f77_blas USE input_cp2k_global, ONLY: create_global_section USE input_enumeration_types, ONLY: enum_i2c,& enumeration_type diff --git a/src/motion/cg_optimizer.F b/src/motion/cg_optimizer.F index f11565eeb7..7adc939dbb 100644 --- a/src/motion/cg_optimizer.F +++ b/src/motion/cg_optimizer.F @@ -17,7 +17,6 @@ MODULE cg_optimizer USE cp_output_handling, ONLY: cp_iterate,& cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE global_types, ONLY: global_environment_type diff --git a/src/motion/cp_lbfgs_geo.F b/src/motion/cp_lbfgs_geo.F index 848301b3dc..bef04989d2 100644 --- a/src/motion/cp_lbfgs_geo.F +++ b/src/motion/cp_lbfgs_geo.F @@ -20,7 +20,6 @@ MODULE cp_lbfgs_geo cp_print_key_finished_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE global_types, ONLY: global_environment_type diff --git a/src/motion/cp_lbfgs_optimizer_gopt.F b/src/motion/cp_lbfgs_optimizer_gopt.F index 25cf383cb8..fc66836000 100644 --- a/src/motion/cp_lbfgs_optimizer_gopt.F +++ b/src/motion/cp_lbfgs_optimizer_gopt.F @@ -23,7 +23,6 @@ MODULE cp_lbfgs_optimizer_gopt USE cp_para_env, ONLY: cp_para_env_release,& cp_para_env_retain USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE force_env_types, ONLY: force_env_type USE gopt_f_methods, ONLY: gopt_f_io USE gopt_f_types, ONLY: gopt_f_release,& diff --git a/src/motion/csvr_system_dynamics.F b/src/motion/csvr_system_dynamics.F index e9372b5d30..9fc2bc4b20 100644 --- a/src/motion/csvr_system_dynamics.F +++ b/src/motion/csvr_system_dynamics.F @@ -14,7 +14,6 @@ MODULE csvr_system_dynamics USE distribution_1d_types, ONLY: distribution_1d_type USE extended_system_types, ONLY: map_info_type,& npt_info_type - USE f77_blas USE kinds, ONLY: dp USE molecule_kind_types, ONLY: molecule_kind_type USE molecule_types_new, ONLY: molecule_type diff --git a/src/motion/csvr_system_init.F b/src/motion/csvr_system_init.F index e6fff0574e..357cd2b11b 100644 --- a/src/motion/csvr_system_init.F +++ b/src/motion/csvr_system_init.F @@ -14,7 +14,6 @@ MODULE csvr_system_init csvr_to_shell_mapping USE csvr_system_types, ONLY: csvr_system_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& section_vals_type,& diff --git a/src/motion/csvr_system_mapping.F b/src/motion/csvr_system_mapping.F index d3dc1d2e12..461c36ef0f 100644 --- a/src/motion/csvr_system_mapping.F +++ b/src/motion/csvr_system_mapping.F @@ -14,7 +14,6 @@ MODULE csvr_system_mapping USE distribution_1d_types, ONLY: distribution_1d_type USE extended_system_types, ONLY: debug_isotropic_limit,& map_info_type - USE f77_blas USE input_constants, ONLY: & do_thermo_communication, do_thermo_no_communication, & do_thermo_only_master, isokin_ensemble, langevin_ensemble, & diff --git a/src/motion/dimer_methods.F b/src/motion/dimer_methods.F index 35ca0226a5..8d43f6daec 100644 --- a/src/motion/dimer_methods.F +++ b/src/motion/dimer_methods.F @@ -16,7 +16,6 @@ MODULE dimer_methods cp_subsys_type USE dimer_types, ONLY: dimer_env_type USE dimer_utils, ONLY: get_theta - USE f77_blas USE force_env_methods, ONLY: force_env_calc_energy_force USE force_env_types, ONLY: force_env_get USE geo_opt, ONLY: cp_rot_opt diff --git a/src/motion/dimer_types.F b/src/motion/dimer_types.F index 2932e52908..f82fe1704a 100644 --- a/src/motion/dimer_types.F +++ b/src/motion/dimer_types.F @@ -10,7 +10,7 @@ !> \author Luca Bellucci and Teodoro Laino - created [tlaino] - 01.2008 ! ***************************************************************************** MODULE dimer_types - USE f77_blas + USE global_types, ONLY: global_environment_type USE input_constants, ONLY: do_first_rotation_step USE input_section_types, ONLY: section_vals_get,& diff --git a/src/motion/dimer_utils.F b/src/motion/dimer_utils.F index e31168bc47..4229b53b36 100644 --- a/src/motion/dimer_utils.F +++ b/src/motion/dimer_utils.F @@ -11,7 +11,6 @@ ! ***************************************************************************** MODULE dimer_utils USE dimer_types, ONLY: dimer_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_remove_values,& section_vals_type,& diff --git a/src/motion/extended_system_dynamics.F b/src/motion/extended_system_dynamics.F index f50e85926c..9a7fab517a 100644 --- a/src/motion/extended_system_dynamics.F +++ b/src/motion/extended_system_dynamics.F @@ -18,7 +18,6 @@ MODULE extended_system_dynamics USE extended_system_types, ONLY: lnhc_parameters_type,& map_info_type,& npt_info_type - USE f77_blas USE kinds, ONLY: dp USE molecule_kind_types, ONLY: molecule_kind_type USE molecule_types_new, ONLY: molecule_type diff --git a/src/motion/extended_system_init.F b/src/motion/extended_system_init.F index d17aab67d1..6ddddb870c 100644 --- a/src/motion/extended_system_init.F +++ b/src/motion/extended_system_init.F @@ -24,7 +24,6 @@ MODULE extended_system_init lnhc_parameters_type,& map_info_type,& npt_info_type - USE f77_blas USE global_types, ONLY: global_environment_type USE input_constants, ONLY: do_thermo_only_master,& npe_f_ensemble,& diff --git a/src/motion/extended_system_mapping.F b/src/motion/extended_system_mapping.F index cc08acd34f..a96bbc5123 100644 --- a/src/motion/extended_system_mapping.F +++ b/src/motion/extended_system_mapping.F @@ -17,7 +17,6 @@ MODULE extended_system_mapping USE extended_system_types, ONLY: debug_isotropic_limit,& lnhc_parameters_type,& map_info_type - USE f77_blas USE input_constants, ONLY: & do_thermo_communication, do_thermo_no_communication, & do_thermo_only_master, isokin_ensemble, langevin_ensemble, & diff --git a/src/motion/free_energy_methods.F b/src/motion/free_energy_methods.F index 45efb1a7e8..5b3abc4031 100644 --- a/src/motion/free_energy_methods.F +++ b/src/motion/free_energy_methods.F @@ -12,7 +12,6 @@ MODULE free_energy_methods USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr USE cp_subsys_types, ONLY: cp_subsys_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE fparser, ONLY: evalf,& diff --git a/src/motion/geo_opt.F b/src/motion/geo_opt.F index 25a15fbc70..85f0ee1810 100644 --- a/src/motion/geo_opt.F +++ b/src/motion/geo_opt.F @@ -16,7 +16,6 @@ MODULE geo_opt USE cp_output_handling, ONLY: cp_add_iter_level,& cp_iterate,& cp_rm_iter_level - USE f77_blas USE force_env_types, ONLY: force_env_type USE global_types, ONLY: global_environment_type USE gopt_f_methods, ONLY: gopt_f_create_x0 diff --git a/src/motion/gopt_f77_methods.F b/src/motion/gopt_f77_methods.F index 02404e82dd..0ba4ce8ecf 100644 --- a/src/motion/gopt_f77_methods.F +++ b/src/motion/gopt_f77_methods.F @@ -43,7 +43,7 @@ RECURSIVE SUBROUTINE cp_eval_at(gopt_env,x,f,gradient,master,& pack_subsys_particles,& unpack_subsys_particles USE dimer_methods, ONLY: cp_eval_at_ts - USE f77_blas + USE force_env_methods, ONLY: force_env_calc_energy_force USE force_env_types, ONLY: force_env_get,& force_env_get_nparticle diff --git a/src/motion/gopt_f_methods.F b/src/motion/gopt_f_methods.F index 01cf52011d..33e3866563 100644 --- a/src/motion/gopt_f_methods.F +++ b/src/motion/gopt_f_methods.F @@ -29,7 +29,6 @@ MODULE gopt_f_methods USE dimer_types, ONLY: dimer_env_type USE dimer_utils, ONLY: update_dimer_vec USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_get_natom,& force_env_get_nparticle,& diff --git a/src/motion/gopt_f_types.F b/src/motion/gopt_f_types.F index 516b75bfab..1d088af3e6 100644 --- a/src/motion/gopt_f_types.F +++ b/src/motion/gopt_f_types.F @@ -20,7 +20,6 @@ MODULE gopt_f_types dimer_env_release,& dimer_env_retain,& dimer_env_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_get_natom,& force_env_release,& diff --git a/src/motion/gopt_param_types.F b/src/motion/gopt_param_types.F index 25820bc7ef..1c982ddb8c 100644 --- a/src/motion/gopt_param_types.F +++ b/src/motion/gopt_param_types.F @@ -10,7 +10,7 @@ !> none ! ***************************************************************************** MODULE gopt_param_types - USE f77_blas + USE input_constants, ONLY: default_bfgs_method_id,& default_cell_method_id,& default_cg_method_id,& diff --git a/src/motion/input_cp2k_barostats.F b/src/motion/input_cp2k_barostats.F index 34ed81d66e..df5908fa75 100644 --- a/src/motion/input_cp2k_barostats.F +++ b/src/motion/input_cp2k_barostats.F @@ -19,7 +19,6 @@ MODULE input_cp2k_barostats USE cp_output_handling, ONLY: cp_print_key_section_create,& high_print_level USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_cp2k_thermostats, ONLY: create_mass_section,& create_thermostat_section,& create_velocity_section diff --git a/src/motion/input_cp2k_md.F b/src/motion/input_cp2k_md.F index b37e6521c9..c43d6b57c5 100644 --- a/src/motion/input_cp2k_md.F +++ b/src/motion/input_cp2k_md.F @@ -20,7 +20,6 @@ MODULE input_cp2k_md low_print_level,& medium_print_level USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: & isokin_ensemble, langevin_ensemble, npe_f_ensemble, npe_i_ensemble, & nph_ensemble, nph_uniaxial_damped_ensemble, nph_uniaxial_ensemble, & diff --git a/src/motion/input_cp2k_restarts.F b/src/motion/input_cp2k_restarts.F index a6cf2bdfee..d608e53e4c 100644 --- a/src/motion/input_cp2k_restarts.F +++ b/src/motion/input_cp2k_restarts.F @@ -27,7 +27,6 @@ MODULE input_cp2k_restarts USE extended_system_types, ONLY: lnhc_parameters_type,& map_info_type,& npt_info_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type,& multiple_fe_list diff --git a/src/motion/input_cp2k_vib.F b/src/motion/input_cp2k_vib.F index 8e0303d159..8e667f3bc1 100644 --- a/src/motion/input_cp2k_vib.F +++ b/src/motion/input_cp2k_vib.F @@ -17,7 +17,6 @@ MODULE input_cp2k_vib low_print_level,& medium_print_level,& silent_print_level - USE f77_blas USE input_constants, ONLY: do_rep_blocked,& do_rep_interleaved,& ms_guess_atomic,& diff --git a/src/motion/integrator.F b/src/motion/integrator.F index 8eaa6ce939..4ddfc5b179 100644 --- a/src/motion/integrator.F +++ b/src/motion/integrator.F @@ -48,7 +48,6 @@ MODULE integrator USE eigenvalueproblems, ONLY: diagonalise USE extended_system_dynamics, ONLY: shell_scale_comv USE extended_system_types, ONLY: npt_info_type - USE f77_blas USE force_env_methods, ONLY: force_env_calc_energy_force USE force_env_types, ONLY: force_env_get,& force_env_type diff --git a/src/motion/integrator_utils.F b/src/motion/integrator_utils.F index fc7a6d5515..ced5a78085 100644 --- a/src/motion/integrator_utils.F +++ b/src/motion/integrator_utils.F @@ -28,7 +28,6 @@ MODULE integrator_utils USE extended_system_types, ONLY: debug_isotropic_limit,& debug_uniaxial_limit,& npt_info_type - USE f77_blas USE input_constants, ONLY: & isokin_ensemble, npe_f_ensemble, npe_i_ensemble, & nph_uniaxial_damped_ensemble, nph_uniaxial_ensemble, npt_f_ensemble, & diff --git a/src/motion/mc_control.F b/src/motion/mc_control.F index b5740d1235..75462dac97 100644 --- a/src/motion/mc_control.F +++ b/src/motion/mc_control.F @@ -20,7 +20,6 @@ MODULE mc_control USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type USE environment, ONLY: cp2k_read - USE f77_blas USE fist_main, ONLY: fist_create_force_env USE force_env_types, ONLY: force_env_get,& force_env_type diff --git a/src/motion/mc_coordinates.F b/src/motion/mc_coordinates.F index 678c29d2e4..789e03337c 100644 --- a/src/motion/mc_coordinates.F +++ b/src/motion/mc_coordinates.F @@ -13,7 +13,6 @@ MODULE mc_coordinates get_cell USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type - USE f77_blas USE force_env_methods, ONLY: force_env_calc_energy_force USE force_env_types, ONLY: force_env_get,& force_env_type diff --git a/src/motion/mc_ensembles.F b/src/motion/mc_ensembles.F index fcc0c8498e..7e8466064c 100644 --- a/src/motion/mc_ensembles.F +++ b/src/motion/mc_ensembles.F @@ -22,7 +22,6 @@ MODULE mc_ensembles cp_subsys_p_type,& cp_subsys_type USE cp_units, ONLY: cp_unit_from_cp2k - USE f77_blas USE force_env_methods, ONLY: force_env_calc_energy_force USE force_env_types, ONLY: force_env_get,& force_env_p_type,& diff --git a/src/motion/mc_environment_types.F b/src/motion/mc_environment_types.F index 941a21ec6a..bd62533000 100644 --- a/src/motion/mc_environment_types.F +++ b/src/motion/mc_environment_types.F @@ -8,7 +8,7 @@ !> \author MJM Oct. 15-2003 ! ***************************************************************************** MODULE mc_environment_types - USE f77_blas + USE force_env_types, ONLY: force_env_type USE mc_types, ONLY: mc_simpar_type #include "../common/cp_common_uses.f90" diff --git a/src/motion/mc_ge_moves.F b/src/motion/mc_ge_moves.F index 56da14600c..43c8e7ca85 100644 --- a/src/motion/mc_ge_moves.F +++ b/src/motion/mc_ge_moves.F @@ -25,7 +25,6 @@ MODULE mc_ge_moves cp_subsys_p_type,& cp_subsys_set,& cp_subsys_type - USE f77_blas USE force_env_methods, ONLY: force_env_calc_energy_force USE force_env_types, ONLY: force_env_get,& force_env_p_type,& diff --git a/src/motion/mc_misc.F b/src/motion/mc_misc.F index 3a45238127..10b054f753 100644 --- a/src/motion/mc_misc.F +++ b/src/motion/mc_misc.F @@ -11,7 +11,6 @@ MODULE mc_misc USE cp_files, ONLY: close_file,& open_file - USE f77_blas USE force_env_types, ONLY: use_fist_force,& use_qs_force USE kinds, ONLY: default_string_length,& diff --git a/src/motion/mc_move_control.F b/src/motion/mc_move_control.F index 96f584e2c5..266bf7ef11 100644 --- a/src/motion/mc_move_control.F +++ b/src/motion/mc_move_control.F @@ -10,7 +10,7 @@ !> \author Matthew J. McGrath (10.16.2003) ! ***************************************************************************** MODULE mc_move_control - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: pi USE mc_types, ONLY: get_mc_molecule_info,& diff --git a/src/motion/mc_moves.F b/src/motion/mc_moves.F index 45902dcbf9..ae6e5073ab 100644 --- a/src/motion/mc_moves.F +++ b/src/motion/mc_moves.F @@ -21,7 +21,6 @@ MODULE mc_moves USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_set,& cp_subsys_type - USE f77_blas USE force_env_methods, ONLY: force_env_calc_energy_force USE force_env_types, ONLY: force_env_get,& force_env_type,& diff --git a/src/motion/mc_run.F b/src/motion/mc_run.F index 6294f7c1fd..f4bb79c1ce 100644 --- a/src/motion/mc_run.F +++ b/src/motion/mc_run.F @@ -37,7 +37,6 @@ ! ***************************************************************************** MODULE mc_run USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE force_env_types, ONLY: force_env_p_type,& force_env_release,& force_env_type,& diff --git a/src/motion/mc_types.F b/src/motion/mc_types.F index b6f92b003a..5d5286e18b 100644 --- a/src/motion/mc_types.F +++ b/src/motion/mc_types.F @@ -21,7 +21,6 @@ MODULE mc_types USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE fist_environment_types, ONLY: fist_env_get,& fist_environment_type USE fist_nonbond_env_types, ONLY: fist_nonbond_env_get,& diff --git a/src/motion/md_conserved_quantities.F b/src/motion/md_conserved_quantities.F index 5f1a138622..10eb3ace90 100644 --- a/src/motion/md_conserved_quantities.F +++ b/src/motion/md_conserved_quantities.F @@ -19,7 +19,6 @@ MODULE md_conserved_quantities cp_subsys_type USE distribution_1d_types, ONLY: distribution_1d_type USE extended_system_types, ONLY: npt_info_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE input_constants, ONLY: & diff --git a/src/motion/md_ener_types.F b/src/motion/md_ener_types.F index 5af20efd2a..7394c17202 100644 --- a/src/motion/md_ener_types.F +++ b/src/motion/md_ener_types.F @@ -8,7 +8,7 @@ !> \author Teodoro Laino [tlaino] - 03.2008 - University of Zurich ! ***************************************************************************** MODULE md_ener_types - USE f77_blas + USE kinds, ONLY: dp #include "../common/cp_common_uses.f90" diff --git a/src/motion/md_energies.F b/src/motion/md_energies.F index 96db2f5e47..26ef9e7037 100644 --- a/src/motion/md_energies.F +++ b/src/motion/md_energies.F @@ -29,7 +29,6 @@ MODULE md_energies USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type USE cp_units, ONLY: cp_unit_from_cp2k - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type,& use_mixed_force diff --git a/src/motion/md_environment_types.F b/src/motion/md_environment_types.F index 130daad2f7..9d235d962d 100644 --- a/src/motion/md_environment_types.F +++ b/src/motion/md_environment_types.F @@ -23,7 +23,6 @@ MODULE md_environment_types cp_para_env_retain USE cp_para_types, ONLY: cp_para_env_type USE extended_system_types, ONLY: npt_info_type - USE f77_blas USE force_env_types, ONLY: force_env_release,& force_env_retain,& force_env_type diff --git a/src/motion/md_run.F b/src/motion/md_run.F index 3fb823ec5c..2b5dd43a4f 100644 --- a/src/motion/md_run.F +++ b/src/motion/md_run.F @@ -34,7 +34,7 @@ MODULE md_run USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas + USE force_env_methods, ONLY: force_env_calc_energy_force USE force_env_types, ONLY: force_env_get,& force_env_type diff --git a/src/motion/md_util.F b/src/motion/md_util.F index b72198d6a7..68bd693197 100644 --- a/src/motion/md_util.F +++ b/src/motion/md_util.F @@ -8,7 +8,7 @@ !> \author Teodoro Laino [tlaino] - University of Zurich - 09.2007 ! ***************************************************************************** MODULE md_util - USE f77_blas + USE input_cp2k_restarts, ONLY: write_restart USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& diff --git a/src/motion/md_vel_utils.F b/src/motion/md_vel_utils.F index c18790f54a..98a4c29ce8 100644 --- a/src/motion/md_vel_utils.F +++ b/src/motion/md_vel_utils.F @@ -29,7 +29,6 @@ MODULE md_vel_utils cp_subsys_type USE cp_units, ONLY: cp_unit_from_cp2k USE extended_system_types, ONLY: npt_info_type - USE f77_blas USE force_env_methods, ONLY: force_env_calc_energy_force USE force_env_types, ONLY: force_env_get,& force_env_type diff --git a/src/motion/neb_io.F b/src/motion/neb_io.F index b33170480f..3beeeec875 100644 --- a/src/motion/neb_io.F +++ b/src/motion/neb_io.F @@ -24,7 +24,6 @@ MODULE neb_io USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr USE cp_units, ONLY: cp_unit_from_cp2k - USE f77_blas USE f77_interface, ONLY: f_env_add_defaults,& f_env_rm_defaults,& f_env_type diff --git a/src/motion/neb_md_utils.F b/src/motion/neb_md_utils.F index 780ded93d8..06655165f2 100644 --- a/src/motion/neb_md_utils.F +++ b/src/motion/neb_md_utils.F @@ -17,7 +17,6 @@ ! ***************************************************************************** MODULE neb_md_utils USE cp_units, ONLY: cp_unit_from_cp2k - USE f77_blas USE global_types, ONLY: global_environment_type USE input_constants, ONLY: band_md_opt,& do_band_collective diff --git a/src/motion/neb_methods.F b/src/motion/neb_methods.F index 7f41270988..79a858427b 100644 --- a/src/motion/neb_methods.F +++ b/src/motion/neb_methods.F @@ -28,7 +28,6 @@ MODULE neb_methods cp_rm_iter_level USE cp_para_types, ONLY: cp_para_env_type USE cp_subsys_types, ONLY: cp_subsys_type - USE f77_blas USE f77_interface, ONLY: f_env_add_defaults,& f_env_rm_defaults,& f_env_type diff --git a/src/motion/neb_opt_utils.F b/src/motion/neb_opt_utils.F index 1584701224..706074c8d0 100644 --- a/src/motion/neb_opt_utils.F +++ b/src/motion/neb_opt_utils.F @@ -16,9 +16,7 @@ !> \author Teodoro Laino 10.2006 ! ***************************************************************************** MODULE neb_opt_utils - USE f77_blas - USE f77_blas_extra - USE f77_blas_generic + USE f77_blas_generic, ONLY: bl_gemm USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: default_string_length,& diff --git a/src/motion/neb_types.F b/src/motion/neb_types.F index a5f349cbfc..89c2973b6e 100644 --- a/src/motion/neb_types.F +++ b/src/motion/neb_types.F @@ -16,7 +16,7 @@ !> \author Teodoro Laino 10.2006 ! ***************************************************************************** MODULE neb_types - USE f77_blas + USE force_env_types, ONLY: force_env_type USE input_constants, ONLY: do_band_cartesian,& do_band_collective diff --git a/src/motion/neb_utils.F b/src/motion/neb_utils.F index eefa0d63d7..2506785b81 100644 --- a/src/motion/neb_utils.F +++ b/src/motion/neb_utils.F @@ -34,7 +34,6 @@ MODULE neb_utils USE cp_parser_types, ONLY: cp_parser_type,& parser_create,& parser_release - USE f77_blas USE f77_interface, ONLY: f_env_add_defaults,& f_env_rm_defaults,& f_env_type,& diff --git a/src/motion/reftraj_types.F b/src/motion/reftraj_types.F index 4df143902d..9526f401e8 100644 --- a/src/motion/reftraj_types.F +++ b/src/motion/reftraj_types.F @@ -16,7 +16,6 @@ MODULE reftraj_types USE cp_parser_types, ONLY: cp_parser_type,& parser_create,& parser_release - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: default_path_length,& diff --git a/src/motion/reftraj_util.F b/src/motion/reftraj_util.F index 18b5faf243..a9b450d9a2 100644 --- a/src/motion/reftraj_util.F +++ b/src/motion/reftraj_util.F @@ -25,7 +25,6 @@ MODULE reftraj_util cp_subsys_type USE cp_units, ONLY: cp_unit_to_cp2k USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE input_section_types, ONLY: section_vals_get_subs_vals,& diff --git a/src/motion/shell_opt.F b/src/motion/shell_opt.F index 00628a08ac..393b63fac3 100644 --- a/src/motion/shell_opt.F +++ b/src/motion/shell_opt.F @@ -19,7 +19,6 @@ MODULE shell_opt USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE global_types, ONLY: global_environment_type diff --git a/src/motion/simpar_methods.F b/src/motion/simpar_methods.F index 94a7dac39f..4fc9dfbd48 100644 --- a/src/motion/simpar_methods.F +++ b/src/motion/simpar_methods.F @@ -19,7 +19,6 @@ MODULE simpar_methods cp_print_key_generate_filename,& cp_print_key_unit_nr USE cp_units, ONLY: cp_unit_from_cp2k - USE f77_blas USE input_constants, ONLY: & isokin_ensemble, langevin_ensemble, npe_f_ensemble, npe_i_ensemble, & nph_uniaxial_damped_ensemble, nph_uniaxial_ensemble, npt_f_ensemble, & diff --git a/src/motion/tamc_run.F b/src/motion/tamc_run.F index a540638ef9..ebf82e2ef3 100644 --- a/src/motion/tamc_run.F +++ b/src/motion/tamc_run.F @@ -38,7 +38,6 @@ MODULE tamc_run cp_subsys_type USE cp_units, ONLY: cp_unit_from_cp2k USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE force_env_methods, ONLY: force_env_calc_energy_force USE force_env_types, ONLY: force_env_get,& force_env_type diff --git a/src/motion/thermostat_methods.F b/src/motion/thermostat_methods.F index 633cd5a676..4f7e9bfde0 100644 --- a/src/motion/thermostat_methods.F +++ b/src/motion/thermostat_methods.F @@ -38,7 +38,6 @@ MODULE thermostat_methods initialize_nhc_shell,& initialize_nhc_slow USE extended_system_types, ONLY: npt_info_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE gle_system_dynamics, ONLY: gle_particles,& diff --git a/src/motion/thermostat_types.F b/src/motion/thermostat_types.F index bffdacccb3..2a4e8fb7ce 100644 --- a/src/motion/thermostat_types.F +++ b/src/motion/thermostat_types.F @@ -17,7 +17,6 @@ MODULE thermostat_types USE extended_system_types, ONLY: lnhc_dealloc,& lnhc_init,& lnhc_parameters_type - USE f77_blas USE gle_system_types, ONLY: gle_dealloc,& gle_init,& gle_type diff --git a/src/motion/thermostat_utils.F b/src/motion/thermostat_utils.F index 305d524362..2b78c766fc 100644 --- a/src/motion/thermostat_utils.F +++ b/src/motion/thermostat_utils.F @@ -21,7 +21,6 @@ MODULE thermostat_utils USE extended_system_types, ONLY: lnhc_parameters_type,& map_info_type,& npt_info_type - USE f77_blas USE input_constants, ONLY: & do_constr_atomic, do_constr_molec, do_region_defined, & do_region_global, do_region_massive, do_region_molecule, do_thermo_al, & diff --git a/src/motion/velocity_verlet_control.F b/src/motion/velocity_verlet_control.F index 18d3a929b0..894b29a31d 100644 --- a/src/motion/velocity_verlet_control.F +++ b/src/motion/velocity_verlet_control.F @@ -10,7 +10,7 @@ ! ***************************************************************************** MODULE velocity_verlet_control - USE f77_blas + USE force_env_types, ONLY: force_env_type USE global_types, ONLY: global_environment_type USE input_constants, ONLY: & diff --git a/src/motion/vibrational_analysis.F b/src/motion/vibrational_analysis.F index 353d515ae1..c06db46d4a 100644 --- a/src/motion/vibrational_analysis.F +++ b/src/motion/vibrational_analysis.F @@ -23,7 +23,6 @@ MODULE vibrational_analysis USE cp_result_methods, ONLY: get_results USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type - USE f77_blas USE f77_interface, ONLY: f_env_add_defaults,& f_env_rm_defaults,& f_env_type diff --git a/src/motion/wiener_process.F b/src/motion/wiener_process.F index 8d2c9712a7..5b815f85d5 100644 --- a/src/motion/wiener_process.F +++ b/src/motion/wiener_process.F @@ -17,7 +17,6 @@ MODULE wiener_process USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE input_section_types, ONLY: section_vals_get,& diff --git a/src/motion_utils.F b/src/motion_utils.F index 4753276d73..2b2c08825d 100644 --- a/src/motion_utils.F +++ b/src/motion_utils.F @@ -21,7 +21,6 @@ MODULE motion_utils USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type USE cp_units, ONLY: cp_unit_from_cp2k - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type USE input_constants, ONLY: dump_atomic,& diff --git a/src/mp2.F b/src/mp2.F index 7c8750f8c5..30c84c2449 100644 --- a/src/mp2.F +++ b/src/mp2.F @@ -39,7 +39,6 @@ MODULE mp2 USE cp_para_env, ONLY: cp_para_env_create,& cp_para_env_release USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE hfx_energy_potential, ONLY: integrate_four_center USE hfx_types, ONLY: & alloc_containers, dealloc_containers, hfx_basis_info_type, & diff --git a/src/mp2_gpw.F b/src/mp2_gpw.F index b26d8bb196..4d0b35d3e5 100644 --- a/src/mp2_gpw.F +++ b/src/mp2_gpw.F @@ -48,7 +48,6 @@ MODULE mp2_gpw distribution_2d_type USE distribution_methods, ONLY: distribute_molecules_1d,& distribute_molecules_2d - USE f77_blas USE input_constants, ONLY: use_orb_basis_set USE input_section_types, ONLY: section_vals_val_get USE kinds, ONLY: dp diff --git a/src/mp2_laplace.F b/src/mp2_laplace.F index 040b46feff..1636b54bf0 100644 --- a/src/mp2_laplace.F +++ b/src/mp2_laplace.F @@ -9,7 +9,7 @@ !> 11.2012 created [Mauro Del Ben] ! ***************************************************************************** MODULE mp2_laplace -! USE f77_blas +! USE cp_fm_types, ONLY: cp_fm_get_info,& cp_fm_set_all,& cp_fm_type diff --git a/src/mp2_optimize_ri_basis.F b/src/mp2_optimize_ri_basis.F index 2c85774200..ffb0234d8c 100644 --- a/src/mp2_optimize_ri_basis.F +++ b/src/mp2_optimize_ri_basis.F @@ -21,7 +21,7 @@ MODULE mp2_optimize_ri_basis USE cp_para_env, ONLY: cp_para_env_create,& cp_para_env_release USE cp_para_types, ONLY: cp_para_env_type -! USE f77_blas +! USE hfx_libint_wrapper_types, ONLY: build_eri_size USE hfx_types, ONLY: hfx_basis_info_type,& hfx_basis_type diff --git a/src/mp2_ri_grad_util.F b/src/mp2_ri_grad_util.F index 9983dde444..34abc261e4 100644 --- a/src/mp2_ri_grad_util.F +++ b/src/mp2_ri_grad_util.F @@ -9,7 +9,7 @@ !> 10.2013 created [Mauro Del Ben] ! ***************************************************************************** MODULE mp2_ri_grad_util -! USE f77_blas +! USE cp_blacs_env, ONLY: cp_blacs_env_create,& cp_blacs_env_release,& cp_blacs_env_type diff --git a/src/mscfg_methods.F b/src/mscfg_methods.F index cacc99c24e..efd686fd9c 100644 --- a/src/mscfg_methods.F +++ b/src/mscfg_methods.F @@ -25,7 +25,6 @@ MODULE mscfg_methods USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_release,& cp_subsys_type - USE f77_blas USE force_env_methods, ONLY: force_env_calc_energy_force USE force_env_types, ONLY: force_env_get,& force_env_release,& diff --git a/src/mulliken.F b/src/mulliken.F index 39e7b36eb2..a93cf69bd9 100644 --- a/src/mulliken.F +++ b/src/mulliken.F @@ -20,7 +20,6 @@ MODULE mulliken cp_dbcsr_iterator_start, cp_dbcsr_iterator_stop, cp_dbcsr_p_type, & cp_dbcsr_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE kinds, ONLY: dp USE message_passing, ONLY: mp_sum USE particle_types, ONLY: particle_type diff --git a/src/optbas_fenv_manipulation.F b/src/optbas_fenv_manipulation.F index 4850829a4c..afd6a5d89d 100644 --- a/src/optbas_fenv_manipulation.F +++ b/src/optbas_fenv_manipulation.F @@ -27,7 +27,6 @@ MODULE optbas_fenv_manipulation cp_fm_type USE cp_output_handling, ONLY: debug_print_level USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: do_admm_basis_projection,& do_admm_purify_mo_diag,& use_aux_fit_basis_set,& diff --git a/src/optbas_opt_utils.F b/src/optbas_opt_utils.F index 8ed07465fe..435ee6b30c 100644 --- a/src/optbas_opt_utils.F +++ b/src/optbas_opt_utils.F @@ -15,7 +15,6 @@ MODULE optbas_opt_utils cp_fm_release,& cp_fm_type USE cp_gemm_interface, ONLY: cp_gemm - USE f77_blas USE kinds, ONLY: dp USE qs_mo_types, ONLY: get_mo_set,& mo_set_p_type diff --git a/src/optimize_basis.F b/src/optimize_basis.F index 6d40815c3c..b7226fe888 100644 --- a/src/optimize_basis.F +++ b/src/optimize_basis.F @@ -11,7 +11,6 @@ MODULE optimize_basis USE cp_para_env, ONLY: cp_para_env_create,& cp_para_env_release USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE f77_interface, ONLY: create_force_env,& destroy_force_env,& f_env_add_defaults,& diff --git a/src/optimize_basis_types.F b/src/optimize_basis_types.F index be5e739105..ec2aac1964 100644 --- a/src/optimize_basis_types.F +++ b/src/optimize_basis_types.F @@ -3,7 +3,7 @@ ! Copyright (C) 2000 - 2014 CP2K developers group ! !-----------------------------------------------------------------------------! MODULE optimize_basis_types - USE f77_blas + USE kinds, ONLY: default_path_length,& default_string_length,& dp diff --git a/src/optimize_basis_utils.F b/src/optimize_basis_utils.F index 77574e719f..2756ef5cdd 100644 --- a/src/optimize_basis_utils.F +++ b/src/optimize_basis_utils.F @@ -11,7 +11,6 @@ MODULE optimize_basis_utils USE cp_parser_types, ONLY: cp_parser_type,& parser_create,& parser_release - USE f77_blas USE input_constants, ONLY: do_opt_all,& do_opt_coeff,& do_opt_exps,& diff --git a/src/optimize_input.F b/src/optimize_input.F index 68da306047..d615670c3f 100644 --- a/src/optimize_input.F +++ b/src/optimize_input.F @@ -17,7 +17,6 @@ MODULE optimize_input parser_create,& parser_release USE environment, ONLY: cp2k_get_walltime - USE f77_blas USE f77_interface, ONLY: calc_force,& create_force_env,& destroy_force_env,& diff --git a/src/pair_potential.F b/src/pair_potential.F index 705cf21489..2a3f776318 100644 --- a/src/pair_potential.F +++ b/src/pair_potential.F @@ -17,7 +17,6 @@ MODULE pair_potential get_atomic_kind USE cp_files, ONLY: close_file,& open_file - USE f77_blas USE fparser, ONLY: finalizef,& initf,& parsef diff --git a/src/pair_potential_types.F b/src/pair_potential_types.F index a200ebc719..a73f3dd30c 100644 --- a/src/pair_potential_types.F +++ b/src/pair_potential_types.F @@ -11,7 +11,7 @@ ! ***************************************************************************** MODULE pair_potential_types - USE f77_blas + USE kinds, ONLY: default_path_length,& default_string_length,& dp diff --git a/src/pair_potential_util.F b/src/pair_potential_util.F index de5d501901..3f8fc3cf29 100644 --- a/src/pair_potential_util.F +++ b/src/pair_potential_util.F @@ -11,7 +11,7 @@ ! ***************************************************************************** MODULE pair_potential_util - USE f77_blas + USE fparser, ONLY: EvalErrType,& evalf USE kinds, ONLY: dp diff --git a/src/particle_methods.F b/src/particle_methods.F index 3918ecc234..adc3b2759c 100644 --- a/src/particle_methods.F +++ b/src/particle_methods.F @@ -26,7 +26,6 @@ MODULE particle_methods USE cp_units, ONLY: cp_unit_from_cp2k USE external_potential_types, ONLY: fist_potential_type,& get_potential - USE f77_blas USE input_constants, ONLY: dump_atomic,& dump_dcd,& dump_dcd_aligned_cell,& diff --git a/src/pme.F b/src/pme.F index 8ad01dfa25..e7438ad245 100644 --- a/src/pme.F +++ b/src/pme.F @@ -28,7 +28,6 @@ MODULE pme ewald_environment_type USE ewald_pw_types, ONLY: ewald_pw_get,& ewald_pw_type - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: fourpi USE particle_types, ONLY: particle_type diff --git a/src/pme_tools.F b/src/pme_tools.F index 52a397dc55..afb4ed9757 100644 --- a/src/pme_tools.F +++ b/src/pme_tools.F @@ -16,7 +16,6 @@ MODULE pme_tools get_atomic_kind USE cell_types, ONLY: cell_type,& real_to_scaled - USE f77_blas USE kinds, ONLY: dp USE particle_types, ONLY: particle_type USE realspace_grid_types, ONLY: realspace_grid_type diff --git a/src/population_analyses.F b/src/population_analyses.F index 19f90db3fc..34c4ef9927 100644 --- a/src/population_analyses.F +++ b/src/population_analyses.F @@ -37,7 +37,6 @@ MODULE population_analyses cp_fm_type USE cp_gemm_interface, ONLY: cp_gemm USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE kinds, ONLY: default_string_length,& dp USE machine, ONLY: m_flush diff --git a/src/preconditioner_makes.F b/src/preconditioner_makes.F index 36fb166b71..ceabe20681 100644 --- a/src/preconditioner_makes.F +++ b/src/preconditioner_makes.F @@ -37,7 +37,6 @@ MODULE preconditioner_makes cp_fm_to_fm,& cp_fm_type USE cp_gemm_interface, ONLY: cp_gemm - USE f77_blas USE input_constants, ONLY: ot_precond_full_all,& ot_precond_full_kinetic,& ot_precond_full_single,& diff --git a/src/pw/cp_linked_list_3d_r.F b/src/pw/cp_linked_list_3d_r.F index b1fe01a3a2..da6ad0aadb 100644 --- a/src/pw/cp_linked_list_3d_r.F +++ b/src/pw/cp_linked_list_3d_r.F @@ -46,7 +46,6 @@ ! ***************************************************************************** MODULE cp_linked_list_3d_r USE cp_array_r_utils, ONLY: cp_3d_r_p_type - USE f77_blas USE kinds, ONLY: dp #include "../common//cp_common_uses.f90" diff --git a/src/pw/cp_linked_list_pw.F b/src/pw/cp_linked_list_pw.F index 5946fcf53e..0b9e6eabe1 100644 --- a/src/pw/cp_linked_list_pw.F +++ b/src/pw/cp_linked_list_pw.F @@ -45,7 +45,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE cp_linked_list_pw - USE f77_blas USE kinds, ONLY: dp USE pw_methods, ONLY: pw_write USE pw_types, ONLY: pw_p_type,& diff --git a/src/pw/cp_linked_list_rs.F b/src/pw/cp_linked_list_rs.F index 9cbb5ad8c1..6e1eddd9d4 100644 --- a/src/pw/cp_linked_list_rs.F +++ b/src/pw/cp_linked_list_rs.F @@ -45,7 +45,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE cp_linked_list_rs - USE f77_blas USE kinds, ONLY: dp USE realspace_grid_types, ONLY: realspace_grid_p_type,& realspace_grid_type diff --git a/src/pw/cube_utils.F b/src/pw/cube_utils.F index 7cb46fd9ac..331ad3efda 100644 --- a/src/pw/cube_utils.F +++ b/src/pw/cube_utils.F @@ -15,7 +15,7 @@ ! ***************************************************************************** MODULE cube_utils - USE f77_blas + USE kinds, ONLY: dp,& int_size USE mathlib, ONLY: matvec_3x3 diff --git a/src/pw/dg_rho0_types.F b/src/pw/dg_rho0_types.F index 88a7ce9a61..3c7b1aec2f 100644 --- a/src/pw/dg_rho0_types.F +++ b/src/pw/dg_rho0_types.F @@ -9,7 +9,7 @@ ! ***************************************************************************** MODULE dg_rho0_types - USE f77_blas + USE kinds, ONLY: dp USE pw_grid_types, ONLY: pw_grid_type USE pw_methods, ONLY: pw_zero diff --git a/src/pw/dg_types.F b/src/pw/dg_types.F index 94aaa5d81b..288ff26514 100644 --- a/src/pw/dg_types.F +++ b/src/pw/dg_types.F @@ -13,7 +13,6 @@ MODULE dg_types dg_rho0_release,& dg_rho0_retain,& dg_rho0_type - USE f77_blas #include "../common/cp_common_uses.f90" IMPLICIT NONE diff --git a/src/pw/dgs.F b/src/pw/dgs.F index 24c5d06461..d6817efe67 100644 --- a/src/pw/dgs.F +++ b/src/pw/dgs.F @@ -9,7 +9,7 @@ !> with dg_grid_change ! ***************************************************************************** MODULE dgs - USE f77_blas + USE fft_tools, ONLY: BWFFT,& FFT_RADIX_CLOSEST,& FFT_RADIX_NEXT_ODD,& diff --git a/src/pw/fft_tools.F b/src/pw/fft_tools.F index 712d31eeea..c3e50f01a8 100644 --- a/src/pw/fft_tools.F +++ b/src/pw/fft_tools.F @@ -26,7 +26,6 @@ MODULE fft_tools USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE fft_lib, ONLY: & fft_1dm, fft_3d, fft_create_plan_1dm, fft_create_plan_3d, & fft_destroy_plan, fft_do_cleanup, fft_do_init, fft_get_lengths, & diff --git a/src/pw/lazy.F b/src/pw/lazy.F index c392b4b86a..7d693c0394 100644 --- a/src/pw/lazy.F +++ b/src/pw/lazy.F @@ -9,7 +9,7 @@ ! ***************************************************************************** MODULE lazy - USE f77_blas + USE kinds, ONLY: dp #include "../common/cp_common_uses.f90" diff --git a/src/pw/mt_util.F b/src/pw/mt_util.F index 91d23567b8..153b708b7a 100644 --- a/src/pw/mt_util.F +++ b/src/pw/mt_util.F @@ -8,7 +8,6 @@ MODULE mt_util USE bibliography, ONLY: Martyna1999,& cite_reference USE erf_fn, ONLY: erf - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: fourpi,& oorootpi,& diff --git a/src/pw/ps_wavelet_base.F b/src/pw/ps_wavelet_base.F index 515a4ebd00..3a1cd397bf 100644 --- a/src/pw/ps_wavelet_base.F +++ b/src/pw/ps_wavelet_base.F @@ -8,7 +8,7 @@ !> \author Florian Schiffmann (09.2007,fschiff) ! ***************************************************************************** MODULE ps_wavelet_base - USE f77_blas + USE kinds, ONLY: dp USE message_passing, ONLY: mp_alltoall USE ps_wavelet_fft3d, ONLY: ctrig,& diff --git a/src/pw/ps_wavelet_fft3d.F b/src/pw/ps_wavelet_fft3d.F index d12935683d..5a62ba24bd 100644 --- a/src/pw/ps_wavelet_fft3d.F +++ b/src/pw/ps_wavelet_fft3d.F @@ -6,7 +6,7 @@ ! ***************************************************************************** MODULE ps_wavelet_fft3d - USE f77_blas + USE kinds, ONLY: dp #include "../common/cp_common_uses.f90" diff --git a/src/pw/ps_wavelet_kernel.F b/src/pw/ps_wavelet_kernel.F index fef1181aba..96501fc6f6 100644 --- a/src/pw/ps_wavelet_kernel.F +++ b/src/pw/ps_wavelet_kernel.F @@ -9,7 +9,7 @@ ! ***************************************************************************** MODULE ps_wavelet_kernel - USE f77_blas + USE kinds, ONLY: dp USE message_passing, ONLY: mp_alltoall USE ps_wavelet_base, ONLY: scramble_unpack diff --git a/src/pw/ps_wavelet_methods.F b/src/pw/ps_wavelet_methods.F index bb0d0487b9..dfaa8b5e34 100644 --- a/src/pw/ps_wavelet_methods.F +++ b/src/pw/ps_wavelet_methods.F @@ -13,7 +13,6 @@ MODULE ps_wavelet_methods USE bibliography, ONLY: Genovese2006,& Genovese2007,& cite_reference - USE f77_blas USE kinds, ONLY: dp USE message_passing, ONLY: mp_alltoall,& mp_cart_rank diff --git a/src/pw/ps_wavelet_types.F b/src/pw/ps_wavelet_types.F index f00cae0c62..6e0aad12ab 100644 --- a/src/pw/ps_wavelet_types.F +++ b/src/pw/ps_wavelet_types.F @@ -9,7 +9,7 @@ ! ***************************************************************************** MODULE ps_wavelet_types - USE f77_blas + USE kinds, ONLY: dp #include "../common/cp_common_uses.f90" diff --git a/src/pw/ps_wavelet_util.F b/src/pw/ps_wavelet_util.F index 414aa4080a..85f75f3aeb 100644 --- a/src/pw/ps_wavelet_util.F +++ b/src/pw/ps_wavelet_util.F @@ -9,7 +9,7 @@ ! ***************************************************************************** MODULE ps_wavelet_util - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: fourpi USE ps_wavelet_base, ONLY: f_poissonsolver,& diff --git a/src/pw/pw_cuda.F b/src/pw/pw_cuda.F index 70993e1a30..0aca19e24c 100644 --- a/src/pw/pw_cuda.F +++ b/src/pw/pw_cuda.F @@ -19,7 +19,6 @@ ! ***************************************************************************** MODULE pw_cuda USE ISO_C_BINDING - USE f77_blas USE fft_tools, ONLY: & cube_transpose_1, cube_transpose_2, fft_scratch_sizes, & fft_scratch_type, get_fft_scratch, release_fft_scratch, x_to_yz, & diff --git a/src/pw/pw_grid_info.F b/src/pw/pw_grid_info.F index bec51ddf6a..24b24338d5 100644 --- a/src/pw/pw_grid_info.F +++ b/src/pw/pw_grid_info.F @@ -10,7 +10,7 @@ !> \author JGH ! ***************************************************************************** MODULE pw_grid_info - USE f77_blas + USE fft_tools, ONLY: FFT_RADIX_NEXT,& FFT_RADIX_NEXT_ODD,& fft_radix_operations diff --git a/src/pw/pw_grid_types.F b/src/pw/pw_grid_types.F index b9ee902787..b616257e25 100644 --- a/src/pw/pw_grid_types.F +++ b/src/pw/pw_grid_types.F @@ -9,7 +9,7 @@ !> \author APSI ! ***************************************************************************** MODULE pw_grid_types - USE f77_blas + USE kinds, ONLY: dp,& int_8 #include "../common/cp_common_uses.f90" diff --git a/src/pw/pw_grids.F b/src/pw/pw_grids.F index 15ba030075..09215b1df2 100644 --- a/src/pw/pw_grids.F +++ b/src/pw/pw_grids.F @@ -33,7 +33,6 @@ ! ***************************************************************************** MODULE pw_grids USE ISO_C_BINDING - USE f77_blas USE kinds, ONLY: dp,& int_8,& int_size diff --git a/src/pw/pw_methods.F b/src/pw/pw_methods.F index d70f3e2aac..6524372662 100644 --- a/src/pw/pw_methods.F +++ b/src/pw/pw_methods.F @@ -21,7 +21,7 @@ !> \author apsi ! ***************************************************************************** MODULE pw_methods - USE f77_blas + USE fft_tools, ONLY: BWFFT,& FWFFT,& fft3d diff --git a/src/pw/pw_poisson_methods.F b/src/pw/pw_poisson_methods.F index 9c496331c1..9f5b18d630 100644 --- a/src/pw/pw_poisson_methods.F +++ b/src/pw/pw_poisson_methods.F @@ -9,7 +9,7 @@ !> \author fawzi ! ***************************************************************************** MODULE pw_poisson_methods - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: fourpi USE mt_util, ONLY: MT0D,& diff --git a/src/pw/pw_poisson_types.F b/src/pw/pw_poisson_types.F index 1fbbc8934a..b0a46c8e63 100644 --- a/src/pw/pw_poisson_types.F +++ b/src/pw/pw_poisson_types.F @@ -22,7 +22,6 @@ MODULE pw_poisson_types bessj1,& bessk0,& bessk1 - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: fourpi,& twopi diff --git a/src/pw/pw_pool_types.F b/src/pw/pw_pool_types.F index 6caeed8b27..873616c271 100644 --- a/src/pw/pw_pool_types.F +++ b/src/pw/pw_pool_types.F @@ -35,7 +35,6 @@ MODULE pw_pool_types cp_sll_pw_next,& cp_sll_pw_rm_first_el,& cp_sll_pw_type - USE f77_blas USE kinds, ONLY: dp USE pw_grid_types, ONLY: pw_grid_type USE pw_grids, ONLY: pw_grid_compare,& diff --git a/src/pw/pw_types.F b/src/pw/pw_types.F index 219356e9bf..b0833fab80 100644 --- a/src/pw/pw_types.F +++ b/src/pw/pw_types.F @@ -20,7 +20,7 @@ !> \author apsi ! ***************************************************************************** MODULE pw_types - USE f77_blas + USE kinds, ONLY: dp USE pw_grid_types, ONLY: pw_grid_type USE pw_grids, ONLY: pw_grid_release,& diff --git a/src/pw/realspace_grid_cube.F b/src/pw/realspace_grid_cube.F index e06e38749b..8df11e9c49 100644 --- a/src/pw/realspace_grid_cube.F +++ b/src/pw/realspace_grid_cube.F @@ -9,7 +9,6 @@ MODULE realspace_grid_cube USE cp_files, ONLY: close_file,& open_file - USE f77_blas USE kinds, ONLY: dp USE message_passing, ONLY: mp_maxloc,& mp_recv,& diff --git a/src/pw_env_methods.F b/src/pw_env_methods.F index eb5c17081d..7168270d2e 100644 --- a/src/pw_env_methods.F +++ b/src/pw_env_methods.F @@ -28,7 +28,6 @@ MODULE pw_env_methods init_cube_info,& return_cube_max_iradius USE d3_poly, ONLY: init_d3_poly_module - USE f77_blas USE gaussian_gridlevels, ONLY: destroy_gaussian_gridlevel,& gaussian_gridlevel,& init_gaussian_gridlevel diff --git a/src/pw_env_types.F b/src/pw_env_types.F index ae3ebee391..f0dc00cfb1 100644 --- a/src/pw_env_types.F +++ b/src/pw_env_types.F @@ -12,7 +12,6 @@ MODULE pw_env_types USE cube_utils, ONLY: cube_info_type,& destroy_cube_info - USE f77_blas USE gaussian_gridlevels, ONLY: destroy_gaussian_gridlevel,& gridlevel_info_type USE input_section_types, ONLY: section_vals_release,& diff --git a/src/pw_poisson_read_input.F b/src/pw_poisson_read_input.F index 0555ec1983..e7c251adb5 100644 --- a/src/pw_poisson_read_input.F +++ b/src/pw_poisson_read_input.F @@ -19,7 +19,6 @@ MODULE pw_poisson_read_input use_perd_y,& use_perd_yz,& use_perd_z - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/qmmm_create.F b/src/qmmm_create.F index b62075b9bd..60d9db9cfd 100644 --- a/src/qmmm_create.F +++ b/src/qmmm_create.F @@ -25,7 +25,6 @@ MODULE qmmm_create USE cp_subsys_methods, ONLY: create_small_subsys USE cp_subsys_types, ONLY: cp_subsys_release,& cp_subsys_type - USE f77_blas USE fist_environment_types, ONLY: fist_env_get,& fist_environment_type USE fist_main, ONLY: fist_create_force_env diff --git a/src/qmmm_elpot.F b/src/qmmm_elpot.F index 49c490fd3b..acdd9f01de 100644 --- a/src/qmmm_elpot.F +++ b/src/qmmm_elpot.F @@ -15,7 +15,6 @@ MODULE qmmm_elpot cp_print_key_should_output,& cp_print_key_unit_nr USE erf_fn, ONLY: erf - USE f77_blas USE input_constants, ONLY: do_qmmm_coulomb,& do_qmmm_gauss,& do_qmmm_pcharge,& diff --git a/src/qmmm_ff_fist.F b/src/qmmm_ff_fist.F index 274b2293c5..67b5f6f365 100644 --- a/src/qmmm_ff_fist.F +++ b/src/qmmm_ff_fist.F @@ -7,7 +7,7 @@ !> \author teo ! ***************************************************************************** MODULE qmmm_ff_fist - USE f77_blas + USE kinds, ONLY: default_string_length #include "./common/cp_common_uses.f90" diff --git a/src/qmmm_force_mixing.F b/src/qmmm_force_mixing.F index 4997851682..8a9e0f2ce7 100644 --- a/src/qmmm_force_mixing.F +++ b/src/qmmm_force_mixing.F @@ -12,7 +12,6 @@ MODULE qmmm_force_mixing pbc USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type - USE f77_blas USE fist_neighbor_list_types, ONLY: fist_neighbor_deallocate,& fist_neighbor_type USE fist_neighbor_lists, ONLY: build_fist_neighbor_lists diff --git a/src/qmmm_gaussian_data.F b/src/qmmm_gaussian_data.F index 7cb51dd96d..64f013c378 100644 --- a/src/qmmm_gaussian_data.F +++ b/src/qmmm_gaussian_data.F @@ -13,7 +13,7 @@ !> \author Teodoro Laino ! ***************************************************************************** MODULE qmmm_gaussian_data - USE f77_blas + USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/qmmm_gaussian_init.F b/src/qmmm_gaussian_init.F index 7ec66ec736..efedb94aa6 100644 --- a/src/qmmm_gaussian_init.F +++ b/src/qmmm_gaussian_init.F @@ -16,7 +16,6 @@ MODULE qmmm_gaussian_init USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE gaussian_gridlevels, ONLY: gaussian_gridlevel,& gridlevel_info_type USE input_constants, ONLY: do_qmmm_gauss,& diff --git a/src/qmmm_gaussian_input.F b/src/qmmm_gaussian_input.F index 3737087a9f..b3822539a3 100644 --- a/src/qmmm_gaussian_input.F +++ b/src/qmmm_gaussian_input.F @@ -17,7 +17,6 @@ MODULE qmmm_gaussian_input USE cp_parser_types, ONLY: cp_parser_type,& parser_create,& parser_release - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: default_string_length,& diff --git a/src/qmmm_gaussian_types.F b/src/qmmm_gaussian_types.F index 0cc355c153..915c54d039 100644 --- a/src/qmmm_gaussian_types.F +++ b/src/qmmm_gaussian_types.F @@ -10,7 +10,7 @@ !> \author Teodoro Laino ! ***************************************************************************** MODULE qmmm_gaussian_types - USE f77_blas + USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/qmmm_gpw_energy.F b/src/qmmm_gpw_energy.F index d7ee066d26..5a6f265c66 100644 --- a/src/qmmm_gpw_energy.F +++ b/src/qmmm_gpw_energy.F @@ -21,7 +21,6 @@ MODULE qmmm_gpw_energy USE cp_realspace_grid_cube, ONLY: cp_pw_to_cube USE cp_spline_utils, ONLY: pw_prolongate_s3 USE cube_utils, ONLY: cube_info_type - USE f77_blas USE input_constants, ONLY: do_par_atom,& do_qmmm_coulomb,& do_qmmm_gauss,& diff --git a/src/qmmm_gpw_forces.F b/src/qmmm_gpw_forces.F index d5290fb349..a02cbe1c11 100644 --- a/src/qmmm_gpw_forces.F +++ b/src/qmmm_gpw_forces.F @@ -18,7 +18,6 @@ MODULE qmmm_gpw_forces USE cp_para_types, ONLY: cp_para_env_type USE cp_spline_utils, ONLY: pw_restrict_s3 USE cube_utils, ONLY: cube_info_type - USE f77_blas USE input_constants, ONLY: do_par_atom,& do_qmmm_coulomb,& do_qmmm_gauss,& diff --git a/src/qmmm_image_charge.F b/src/qmmm_image_charge.F index 6945606375..edad78c16d 100644 --- a/src/qmmm_image_charge.F +++ b/src/qmmm_image_charge.F @@ -22,7 +22,6 @@ MODULE qmmm_image_charge cp_print_key_should_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/qmmm_init.F b/src/qmmm_init.F index b821746654..27dde8d75d 100644 --- a/src/qmmm_init.F +++ b/src/qmmm_init.F @@ -27,7 +27,6 @@ MODULE qmmm_init USE external_potential_types, ONLY: fist_potential_type,& get_potential,& set_potential - USE f77_blas USE force_field_types, ONLY: input_info_type USE force_fields_input, ONLY: read_gd_section,& read_gp_section,& diff --git a/src/qmmm_links_methods.F b/src/qmmm_links_methods.F index cd9f28a0c3..737d917e82 100644 --- a/src/qmmm_links_methods.F +++ b/src/qmmm_links_methods.F @@ -10,7 +10,7 @@ !> \author Teodoro Laino ! ***************************************************************************** MODULE qmmm_links_methods - USE f77_blas + USE kinds, ONLY: dp USE particle_types, ONLY: particle_type USE qmmm_types, ONLY: add_set_type,& diff --git a/src/qmmm_per_elpot.F b/src/qmmm_per_elpot.F index 27b58ec5c5..4d18fcff4b 100644 --- a/src/qmmm_per_elpot.F +++ b/src/qmmm_per_elpot.F @@ -24,7 +24,6 @@ MODULE qmmm_per_elpot USE ewald_pw_types, ONLY: ewald_pw_create,& ewald_pw_type USE ewald_spline_util, ONLY: Setup_Ewald_Spline - USE f77_blas USE input_constants, ONLY: do_qmmm_coulomb,& do_qmmm_gauss,& do_qmmm_pcharge,& diff --git a/src/qmmm_pw_grid.F b/src/qmmm_pw_grid.F index 50a86dff18..af05c4e07e 100644 --- a/src/qmmm_pw_grid.F +++ b/src/qmmm_pw_grid.F @@ -9,7 +9,6 @@ ! ***************************************************************************** MODULE qmmm_pw_grid USE cell_types, ONLY: cell_type - USE f77_blas USE input_constants, ONLY: do_par_atom,& do_qmmm_gauss,& do_qmmm_swave diff --git a/src/qmmm_se_energy.F b/src/qmmm_se_energy.F index ce6b95a267..6f34e13488 100644 --- a/src/qmmm_se_energy.F +++ b/src/qmmm_se_energy.F @@ -26,7 +26,6 @@ MODULE qmmm_se_energy cp_print_key_should_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: & do_method_am1, do_method_mndo, do_method_mndod, do_method_pchg, & do_method_pdg, do_method_pm3, do_method_pm6, do_method_pnnl, & diff --git a/src/qmmm_se_forces.F b/src/qmmm_se_forces.F index 742054b7ea..33e2f1b88f 100644 --- a/src/qmmm_se_forces.F +++ b/src/qmmm_se_forces.F @@ -17,7 +17,6 @@ MODULE qmmm_se_forces USE cp_dbcsr_interface, ONLY: cp_dbcsr_get_block_p,& cp_dbcsr_p_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: & do_method_am1, do_method_mndo, do_method_mndod, do_method_pchg, & do_method_pdg, do_method_pm3, do_method_pm6, do_method_pnnl, & diff --git a/src/qmmm_topology_util.F b/src/qmmm_topology_util.F index 9bebd4c4f0..cbda28fb62 100644 --- a/src/qmmm_topology_util.F +++ b/src/qmmm_topology_util.F @@ -9,7 +9,6 @@ MODULE qmmm_topology_util USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE input_section_types, ONLY: section_vals_type USE kinds, ONLY: default_string_length USE molecule_kind_types, ONLY: molecule_kind_type diff --git a/src/qmmm_types.F b/src/qmmm_types.F index 5ac21655b9..d3de025d69 100644 --- a/src/qmmm_types.F +++ b/src/qmmm_types.F @@ -13,7 +13,6 @@ MODULE qmmm_types ewald_environment_type USE ewald_pw_types, ONLY: ewald_pw_release,& ewald_pw_type - USE f77_blas USE force_field_types, ONLY: deallocate_inp_info,& init_inp_info,& input_info_type diff --git a/src/qmmm_update.F b/src/qmmm_update.F index 9bae555106..8e9aedfc16 100644 --- a/src/qmmm_update.F +++ b/src/qmmm_update.F @@ -14,7 +14,6 @@ MODULE qmmm_update USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_p_type,& force_env_release,& diff --git a/src/qmmm_util.F b/src/qmmm_util.F index 720497edd6..5b609e5bba 100644 --- a/src/qmmm_util.F +++ b/src/qmmm_util.F @@ -12,7 +12,6 @@ MODULE qmmm_util USE cell_types, ONLY: cell_copy,& cell_type USE cp_subsys_types, ONLY: cp_subsys_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type,& use_qmmm diff --git a/src/qs_charges_types.F b/src/qs_charges_types.F index 0636a7395a..7844425588 100644 --- a/src/qs_charges_types.F +++ b/src/qs_charges_types.F @@ -10,7 +10,7 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE qs_charges_types - USE f77_blas + USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/qs_dftb3_methods.F b/src/qs_dftb3_methods.F index 33f1bbf142..4788c1089c 100644 --- a/src/qs_dftb3_methods.F +++ b/src/qs_dftb3_methods.F @@ -23,7 +23,6 @@ MODULE qs_dftb3_methods cp_dbcsr_p_type USE cp_para_types, ONLY: cp_para_env_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE kinds, ONLY: dp USE message_passing, ONLY: mp_sum USE particle_types, ONLY: particle_type diff --git a/src/qs_dftb_coulomb.F b/src/qs_dftb_coulomb.F index 8100aea642..d19a0ed893 100644 --- a/src/qs_dftb_coulomb.F +++ b/src/qs_dftb_coulomb.F @@ -35,7 +35,6 @@ MODULE qs_dftb_coulomb ewald_environment_type USE ewald_pw_types, ONLY: ewald_pw_get,& ewald_pw_type - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: fourpi,& oorootpi,& diff --git a/src/qs_dftb_matrices.F b/src/qs_dftb_matrices.F index ec33165f03..3beeee322a 100644 --- a/src/qs_dftb_matrices.F +++ b/src/qs_dftb_matrices.F @@ -45,7 +45,6 @@ MODULE qs_dftb_matrices USE ewald_pw_types, ONLY: ewald_pw_create,& ewald_pw_release,& ewald_pw_type - USE f77_blas USE input_constants, ONLY: do_fist_pol_none USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type diff --git a/src/qs_dftb_parameters.F b/src/qs_dftb_parameters.F index cc61c8dae6..0208a8966a 100644 --- a/src/qs_dftb_parameters.F +++ b/src/qs_dftb_parameters.F @@ -25,7 +25,6 @@ MODULE qs_dftb_parameters parser_create,& parser_release USE external_potential_types, ONLY: set_potential - USE f77_blas USE input_constants, ONLY: dispersion_uff USE input_section_types, ONLY: section_vals_type USE kinds, ONLY: default_path_length,& diff --git a/src/qs_dftb_types.F b/src/qs_dftb_types.F index 6c0fb25164..e9f305bfdf 100644 --- a/src/qs_dftb_types.F +++ b/src/qs_dftb_types.F @@ -9,7 +9,7 @@ ! ***************************************************************************** MODULE qs_dftb_types - USE f77_blas + USE kinds, ONLY: default_string_length,& dp #include "./common/cp_common_uses.f90" diff --git a/src/qs_dftb_utils.F b/src/qs_dftb_utils.F index 83e3f63cb3..654586d66a 100644 --- a/src/qs_dftb_utils.F +++ b/src/qs_dftb_utils.F @@ -13,7 +13,6 @@ MODULE qs_dftb_utils cp_print_key_finished_output,& cp_print_key_should_output,& cp_print_key_unit_nr - USE f77_blas USE input_section_types, ONLY: section_vals_type USE kinds, ONLY: default_string_length,& dp diff --git a/src/qs_diis.F b/src/qs_diis.F index 9385ca2958..dfda357819 100644 --- a/src/qs_diis.F +++ b/src/qs_diis.F @@ -38,7 +38,6 @@ MODULE qs_diis cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type USE dm_ls_scf_types, ONLY: ls_scf_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_type USE kinds, ONLY: default_string_length,& dp,& diff --git a/src/qs_diis_types.F b/src/qs_diis_types.F index 2f612920aa..225be494b1 100644 --- a/src/qs_diis_types.F +++ b/src/qs_diis_types.F @@ -14,7 +14,6 @@ MODULE qs_diis_types cp_dbcsr_release USE cp_fm_types, ONLY: cp_fm_p_type,& cp_fm_release - USE f77_blas USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/qs_dispersion_nonloc.F b/src/qs_dispersion_nonloc.F index 8544fcaffe..22672f4efb 100644 --- a/src/qs_dispersion_nonloc.F +++ b/src/qs_dispersion_nonloc.F @@ -24,7 +24,6 @@ MODULE qs_dispersion_nonloc USE cp_files, ONLY: close_file,& open_file USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: vdw_nl_DRSLL,& vdw_nl_LMKLL,& vdw_nl_RVV10,& diff --git a/src/qs_dispersion_pairpot.F b/src/qs_dispersion_pairpot.F index 82d351dc1f..83c7922cf5 100644 --- a/src/qs_dispersion_pairpot.F +++ b/src/qs_dispersion_pairpot.F @@ -31,7 +31,6 @@ MODULE qs_dispersion_pairpot USE cp_parser_types, ONLY: cp_parser_type,& parser_create,& parser_release - USE f77_blas USE input_constants, ONLY: vdw_pairpot_dftd2,& vdw_pairpot_dftd3,& vdw_pairpot_dftd3bj,& diff --git a/src/qs_electric_field_gradient.F b/src/qs_electric_field_gradient.F index b6e27ed692..322efb211f 100644 --- a/src/qs_electric_field_gradient.F +++ b/src/qs_electric_field_gradient.F @@ -19,7 +19,6 @@ MODULE qs_electric_field_gradient USE cp_output_handling, ONLY: cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type USE eigenvalueproblems, ONLY: diagonalise - USE f77_blas USE input_section_types, ONLY: section_get_lval,& section_vals_get_subs_vals,& section_vals_type,& diff --git a/src/qs_energy.F b/src/qs_energy.F index 45d62cc73a..40905e0b56 100644 --- a/src/qs_energy.F +++ b/src/qs_energy.F @@ -15,7 +15,6 @@ MODULE qs_energy rtp_control_type USE cp_dbcsr_interface, ONLY: cp_dbcsr_p_type USE dm_ls_scf, ONLY: ls_scf - USE f77_blas USE input_constants, ONLY: ehrenfest USE kinds, ONLY: dp USE qs_energy_types, ONLY: qs_energy_type diff --git a/src/qs_energy_types.F b/src/qs_energy_types.F index 8f73d6b274..8b961c2b63 100644 --- a/src/qs_energy_types.F +++ b/src/qs_energy_types.F @@ -11,7 +11,7 @@ ! ***************************************************************************** MODULE qs_energy_types - USE f77_blas + USE kinds, ONLY: dp,& dp_size,& int_size diff --git a/src/qs_energy_utils.F b/src/qs_energy_utils.F index 77c3342192..565783f321 100644 --- a/src/qs_energy_utils.F +++ b/src/qs_energy_utils.F @@ -25,7 +25,6 @@ MODULE qs_energy_utils USE cp_para_types, ONLY: cp_para_env_type USE efield_utils, ONLY: calculate_ecore_efield USE et_coupling, ONLY: calc_et_coupling - USE f77_blas USE input_constants, ONLY: kg_tnadd_atomic,& kg_tnadd_embed USE input_section_types, ONLY: section_vals_get_subs_vals,& diff --git a/src/qs_environment.F b/src/qs_environment.F index 65adca63e4..56f01997f2 100644 --- a/src/qs_environment.F +++ b/src/qs_environment.F @@ -66,7 +66,6 @@ MODULE qs_environment USE ewald_pw_types, ONLY: ewald_pw_create,& ewald_pw_release,& ewald_pw_type - USE f77_blas USE fist_nonbond_env_types, ONLY: fist_nonbond_env_create,& fist_nonbond_env_type USE ga_environment_types, ONLY: ga_environment_type,& diff --git a/src/qs_environment_methods.F b/src/qs_environment_methods.F index f96ad27096..75baacbb8b 100644 --- a/src/qs_environment_methods.F +++ b/src/qs_environment_methods.F @@ -30,7 +30,6 @@ MODULE qs_environment_methods USE ewald_pw_types, ONLY: ewald_pw_type USE external_potential_types, ONLY: get_potential,& gth_potential_type - USE f77_blas USE input_constants, ONLY: do_ppl_analytic,& do_ppl_grid,& kg_tnadd_embed,& diff --git a/src/qs_environment_types.F b/src/qs_environment_types.F index affc28b96f..b887402a02 100644 --- a/src/qs_environment_types.F +++ b/src/qs_environment_types.F @@ -48,7 +48,6 @@ MODULE qs_environment_types USE ewald_pw_types, ONLY: ewald_pw_release,& ewald_pw_retain,& ewald_pw_type - USE f77_blas USE fist_nonbond_env_types, ONLY: fist_nonbond_env_release,& fist_nonbond_env_type USE ga_environment_types, ONLY: ga_env_release,& diff --git a/src/qs_epr_hyp.F b/src/qs_epr_hyp.F index c9e7e4d5f0..9f20e33554 100644 --- a/src/qs_epr_hyp.F +++ b/src/qs_epr_hyp.F @@ -18,7 +18,6 @@ MODULE qs_epr_hyp USE cp_control_types, ONLY: dft_control_type USE cp_output_handling, ONLY: cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/qs_external_density.F b/src/qs_external_density.F index df9df18355..5eba0189e1 100644 --- a/src/qs_external_density.F +++ b/src/qs_external_density.F @@ -13,7 +13,6 @@ MODULE qs_external_density USE cp_files, ONLY: close_file,& get_unit_number,& open_file - USE f77_blas USE gaussian_gridlevels, ONLY: gridlevel_info_type USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& diff --git a/src/qs_external_potential.F b/src/qs_external_potential.F index 4b4fb25d3e..adef9f7ed3 100644 --- a/src/qs_external_potential.F +++ b/src/qs_external_potential.F @@ -13,7 +13,6 @@ MODULE qs_external_potential USE cell_types, ONLY: cell_type,& pbc USE cp_control_types, ONLY: dft_control_type - USE f77_blas USE force_fields_util, ONLY: get_generic_info USE fparser, ONLY: evalf,& evalfd,& diff --git a/src/qs_force.F b/src/qs_force.F index ab83ce0582..d9153f56b6 100644 --- a/src/qs_force.F +++ b/src/qs_force.F @@ -31,7 +31,6 @@ MODULE qs_force USE cp_para_types, ONLY: cp_para_env_type USE dft_plus_u, ONLY: plus_u USE efield_utils, ONLY: calculate_ecore_efield - USE f77_blas USE global_types, ONLY: global_environment_type USE harris_env_types, ONLY: harris_env_set,& harris_env_type diff --git a/src/qs_force_types.F b/src/qs_force_types.F index f0c37590a6..718f4fd2d2 100644 --- a/src/qs_force_types.F +++ b/src/qs_force_types.F @@ -13,7 +13,6 @@ MODULE qs_force_types !USE cp_control_types, ONLY: qs_control_type USE atomic_kind_types, ONLY: atomic_kind_type,& get_atomic_kind - USE f77_blas USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/qs_gapw_densities.F b/src/qs_gapw_densities.F index eff5a9ca83..c853f2c005 100644 --- a/src/qs_gapw_densities.F +++ b/src/qs_gapw_densities.F @@ -10,7 +10,6 @@ MODULE qs_gapw_densities USE cp_control_types, ONLY: dft_control_type,& gapw_control_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE kinds, ONLY: dp USE message_passing, ONLY: mp_sum USE qs_charges_types, ONLY: qs_charges_type diff --git a/src/qs_grid_atom.F b/src/qs_grid_atom.F index 3adbc62e75..02e20aa2e7 100644 --- a/src/qs_grid_atom.F +++ b/src/qs_grid_atom.F @@ -5,7 +5,7 @@ ! ***************************************************************************** MODULE qs_grid_atom - USE f77_blas + USE input_constants, ONLY: do_gapw_gcs,& do_gapw_gct,& do_gapw_log diff --git a/src/qs_harmonics_atom.F b/src/qs_harmonics_atom.F index d36d4eb1e4..011e1e512c 100644 --- a/src/qs_harmonics_atom.F +++ b/src/qs_harmonics_atom.F @@ -7,7 +7,6 @@ MODULE qs_harmonics_atom USE basis_set_types, ONLY: get_gto_basis_set,& gto_basis_set_type - USE f77_blas USE kinds, ONLY: dp USE lebedev, ONLY: lebedev_grid USE memory_utilities, ONLY: reallocate diff --git a/src/qs_initial_guess.F b/src/qs_initial_guess.F index b25789ff38..1fc9352109 100644 --- a/src/qs_initial_guess.F +++ b/src/qs_initial_guess.F @@ -42,7 +42,6 @@ MODULE qs_initial_guess USE cp_para_types, ONLY: cp_para_env_type USE external_potential_types, ONLY: all_potential_type,& gth_potential_type - USE f77_blas USE input_constants, ONLY: & atomic_guess, core_guess, densities_guess, history_guess, mopac_guess, & no_guess, random_guess, restart_guess, sparse_guess diff --git a/src/qs_interactions.F b/src/qs_interactions.F index 60461b9c05..ca15906084 100644 --- a/src/qs_interactions.F +++ b/src/qs_interactions.F @@ -32,7 +32,6 @@ MODULE qs_interactions get_potential,& gth_potential_type,& set_potential - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: default_string_length,& diff --git a/src/qs_kind_types.F b/src/qs_kind_types.F index d417408fbc..66faee94bd 100644 --- a/src/qs_kind_types.F +++ b/src/qs_kind_types.F @@ -36,7 +36,6 @@ MODULE qs_kind_types get_potential, gth_potential_type, init_potential, & local_potential_type, read_potential, set_default_all_potential, & set_potential, write_potential - USE f77_blas USE input_constants, ONLY: & do_method_am1, do_method_dftb, do_method_mndo, do_method_mndod, & do_method_pdg, do_method_pm3, do_method_pm6, do_method_pnnl, & diff --git a/src/qs_kpp1_env_methods.F b/src/qs_kpp1_env_methods.F index 6399a98cb5..2d21728ec5 100644 --- a/src/qs_kpp1_env_methods.F +++ b/src/qs_kpp1_env_methods.F @@ -22,7 +22,6 @@ MODULE qs_kpp1_env_methods USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_should_output,& cp_print_key_unit_nr - USE f77_blas USE hartree_local_methods, ONLY: Vh_1c_gg_integrals USE input_constants, ONLY: do_method_gapw,& do_method_gapw_xc,& diff --git a/src/qs_kpp1_env_types.F b/src/qs_kpp1_env_types.F index 4664fd46d9..64bce28820 100644 --- a/src/qs_kpp1_env_types.F +++ b/src/qs_kpp1_env_types.F @@ -19,7 +19,6 @@ MODULE qs_kpp1_env_types open_file USE cp_para_types, ONLY: cp_para_env_type USE cp_realspace_grid_cube, ONLY: cp_pw_to_cube - USE f77_blas USE kinds, ONLY: default_path_length USE particle_list_types, ONLY: particle_list_type USE pw_types, ONLY: pw_p_type,& diff --git a/src/qs_ks_apply_restraints.F b/src/qs_ks_apply_restraints.F index 9b49fcd976..b82f3d8029 100644 --- a/src/qs_ks_apply_restraints.F +++ b/src/qs_ks_apply_restraints.F @@ -20,7 +20,6 @@ MODULE qs_ks_apply_restraints cp_fm_type USE cp_para_types, ONLY: cp_para_env_type USE et_coupling, ONLY: becke_restraint - USE f77_blas USE kinds, ONLY: dp USE mulliken, ONLY: mulliken_restraint USE pw_methods, ONLY: pw_scale diff --git a/src/qs_ks_methods.F b/src/qs_ks_methods.F index d89d496eb2..70d9a6c534 100644 --- a/src/qs_ks_methods.F +++ b/src/qs_ks_methods.F @@ -61,7 +61,6 @@ MODULE qs_ks_methods USE dft_plus_u, ONLY: plus_u USE efield_utils, ONLY: efield_potential USE ep_qs_types, ONLY: ep_qs_type - USE f77_blas USE hartree_local_methods, ONLY: Vh_1c_gg_integrals USE hfx_admm_utils, ONLY: hfx_admm_init,& hfx_ks_matrix diff --git a/src/qs_ks_qmmm_methods.F b/src/qs_ks_qmmm_methods.F index e583d1fbc9..4448451097 100644 --- a/src/qs_ks_qmmm_methods.F +++ b/src/qs_ks_qmmm_methods.F @@ -13,7 +13,6 @@ MODULE qs_ks_qmmm_methods USE cube_utils, ONLY: cube_info_type,& init_cube_info USE d3_poly, ONLY: init_d3_poly_module - USE f77_blas USE input_constants, ONLY: do_qmmm_gauss,& do_qmmm_swave USE input_section_types, ONLY: section_vals_type diff --git a/src/qs_ks_qmmm_types.F b/src/qs_ks_qmmm_types.F index f39e88756f..f7daba7629 100644 --- a/src/qs_ks_qmmm_types.F +++ b/src/qs_ks_qmmm_types.F @@ -13,7 +13,6 @@ MODULE qs_ks_qmmm_types cp_dbcsr_p_type USE cube_utils, ONLY: cube_info_type,& destroy_cube_info - USE f77_blas USE kinds, ONLY: dp USE pw_env_types, ONLY: pw_env_get,& pw_env_release,& diff --git a/src/qs_ks_types.F b/src/qs_ks_types.F index 78f012d949..549106e28b 100644 --- a/src/qs_ks_types.F +++ b/src/qs_ks_types.F @@ -34,7 +34,6 @@ MODULE qs_ks_types USE distribution_2d_types, ONLY: distribution_2d_release,& distribution_2d_retain,& distribution_2d_type - USE f77_blas USE kpoint_types, ONLY: kpoint_create,& kpoint_release,& kpoint_type diff --git a/src/qs_ks_utils.F b/src/qs_ks_utils.F index bd9501f83e..6390c5eaa9 100644 --- a/src/qs_ks_utils.F +++ b/src/qs_ks_utils.F @@ -47,7 +47,6 @@ MODULE qs_ks_utils cp_print_key_should_output,& cp_print_key_unit_nr USE ep_qs_types, ONLY: ep_qs_type - USE f77_blas USE input_constants, ONLY: & do_ppl_grid, sic_ad, sic_eo, sic_list_all, sic_list_unpaired, & sic_mauri_spz, sic_mauri_us, sic_none, use_aux_fit_basis_set diff --git a/src/qs_linres_current_utils.F b/src/qs_linres_current_utils.F index 36ef881f80..d5e5cc0aa3 100644 --- a/src/qs_linres_current_utils.F +++ b/src/qs_linres_current_utils.F @@ -48,7 +48,6 @@ MODULE qs_linres_current_utils cp_print_key_should_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: current_gauge_atom,& current_gauge_r,& current_gauge_r_and_step_func,& diff --git a/src/qs_linres_epr_nablavks.F b/src/qs_linres_epr_nablavks.F index a7f46873fc..83f4de3ffa 100644 --- a/src/qs_linres_epr_nablavks.F +++ b/src/qs_linres_epr_nablavks.F @@ -26,7 +26,6 @@ MODULE qs_linres_epr_nablavks USE external_potential_types, ONLY: all_potential_type,& get_potential,& gth_potential_type - USE f77_blas USE hartree_local_methods, ONLY: calculate_Vh_1center USE input_section_types, ONLY: section_get_ivals,& section_vals_get_subs_vals,& diff --git a/src/qs_linres_epr_ownutils.F b/src/qs_linres_epr_ownutils.F index b31760a35c..d1bd34534c 100644 --- a/src/qs_linres_epr_ownutils.F +++ b/src/qs_linres_epr_ownutils.F @@ -19,7 +19,6 @@ MODULE qs_linres_epr_ownutils cp_print_key_should_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/qs_linres_epr_utils.F b/src/qs_linres_epr_utils.F index b18d0436a1..a70ac97f3c 100644 --- a/src/qs_linres_epr_utils.F +++ b/src/qs_linres_epr_utils.F @@ -23,7 +23,6 @@ MODULE qs_linres_epr_utils USE cp_control_types, ONLY: dft_control_type USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type USE kinds, ONLY: dp diff --git a/src/qs_linres_issc_utils.F b/src/qs_linres_issc_utils.F index 45ddad73ae..21bec5ad6b 100644 --- a/src/qs_linres_issc_utils.F +++ b/src/qs_linres_issc_utils.F @@ -45,7 +45,6 @@ MODULE qs_linres_issc_utils cp_print_key_should_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/qs_linres_methods.F b/src/qs_linres_methods.F index 77585103f3..c3b1239acd 100644 --- a/src/qs_linres_methods.F +++ b/src/qs_linres_methods.F @@ -45,7 +45,6 @@ MODULE qs_linres_methods cp_print_key_should_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE hartree_local_methods, ONLY: Vh_1c_gg_integrals USE input_constants, ONLY: do_loc_none,& op_loc_berry,& diff --git a/src/qs_linres_module.F b/src/qs_linres_module.F index 4eee878f7c..7e46a6b6ae 100644 --- a/src/qs_linres_module.F +++ b/src/qs_linres_module.F @@ -18,7 +18,6 @@ MODULE qs_linres_module USE cp_dbcsr_interface, ONLY: cp_dbcsr_p_type USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_type,& use_qmmm,& diff --git a/src/qs_linres_nmr_epr_common_utils.F b/src/qs_linres_nmr_epr_common_utils.F index 8ac20f5af7..4620e8999a 100644 --- a/src/qs_linres_nmr_epr_common_utils.F +++ b/src/qs_linres_nmr_epr_common_utils.F @@ -14,7 +14,6 @@ ! ***************************************************************************** MODULE qs_linres_nmr_epr_common_utils USE cell_types, ONLY: cell_type - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: gaussi USE pw_grid_types, ONLY: pw_grid_type diff --git a/src/qs_linres_nmr_shift.F b/src/qs_linres_nmr_shift.F index aac9b17fd3..2f31a09c01 100644 --- a/src/qs_linres_nmr_shift.F +++ b/src/qs_linres_nmr_shift.F @@ -21,7 +21,6 @@ MODULE qs_linres_nmr_shift cp_print_key_should_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/qs_linres_nmr_utils.F b/src/qs_linres_nmr_utils.F index dab709cd44..e75851dd19 100644 --- a/src/qs_linres_nmr_utils.F +++ b/src/qs_linres_nmr_utils.F @@ -33,7 +33,6 @@ MODULE qs_linres_nmr_utils parser_release USE cp_units, ONLY: cp_unit_from_cp2k,& cp_unit_to_cp2k - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/qs_linres_op.F b/src/qs_linres_op.F index 36adb8d1f3..20c6515d92 100644 --- a/src/qs_linres_op.F +++ b/src/qs_linres_op.F @@ -47,7 +47,6 @@ MODULE qs_linres_op USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type USE kinds, ONLY: dp diff --git a/src/qs_linres_polar_utils.F b/src/qs_linres_polar_utils.F index 3d94212e17..2a7bada71e 100644 --- a/src/qs_linres_polar_utils.F +++ b/src/qs_linres_polar_utils.F @@ -36,7 +36,6 @@ MODULE qs_linres_polar_utils USE cp_result_methods, ONLY: cp_results_erase,& put_results USE cp_result_types, ONLY: cp_result_type - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/qs_linres_types.F b/src/qs_linres_types.F index 68df1a7574..d544fceb4a 100644 --- a/src/qs_linres_types.F +++ b/src/qs_linres_types.F @@ -17,7 +17,6 @@ MODULE qs_linres_types USE cp_array_r_utils, ONLY: cp_2d_r_p_type USE cp_dbcsr_interface, ONLY: cp_dbcsr_p_type USE cp_fm_types, ONLY: cp_fm_p_type - USE f77_blas USE kinds, ONLY: dp USE qs_grid_atom, ONLY: grid_atom_type USE qs_harmonics_atom, ONLY: harmonics_atom_type diff --git a/src/qs_loc_methods.F b/src/qs_loc_methods.F index 6fc4741dce..a7b214f9c1 100644 --- a/src/qs_loc_methods.F +++ b/src/qs_loc_methods.F @@ -43,7 +43,6 @@ MODULE qs_loc_methods USE cp_para_types, ONLY: cp_para_env_type USE cp_realspace_grid_cube, ONLY: cp_pw_to_cube USE cp_units, ONLY: cp_unit_from_cp2k - USE f77_blas USE input_constants, ONLY: & do_loc_crazy, do_loc_direct, do_loc_jacobi, do_loc_l1_norm_sd, & do_loc_none, dump_dcd, dump_dcd_aligned_cell, dump_xmol, op_loc_berry, & diff --git a/src/qs_loc_molecules.F b/src/qs_loc_molecules.F index 2e66ba2777..362d92ee41 100644 --- a/src/qs_loc_molecules.F +++ b/src/qs_loc_molecules.F @@ -17,7 +17,6 @@ MODULE qs_loc_molecules cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE input_section_types, ONLY: section_get_ival,& section_vals_type,& section_vals_val_get diff --git a/src/qs_loc_types.F b/src/qs_loc_types.F index 77ef922a33..6fb921a301 100644 --- a/src/qs_loc_types.F +++ b/src/qs_loc_types.F @@ -36,7 +36,6 @@ MODULE qs_loc_types USE distribution_1d_types, ONLY: distribution_1d_release,& distribution_1d_retain,& distribution_1d_type - USE f77_blas USE kinds, ONLY: default_string_length,& dp USE particle_types, ONLY: particle_type diff --git a/src/qs_local_rho_types.F b/src/qs_local_rho_types.F index 25c57c3c00..84f7067929 100644 --- a/src/qs_local_rho_types.F +++ b/src/qs_local_rho_types.F @@ -6,7 +6,6 @@ MODULE qs_local_rho_types USE erf_fn, ONLY: erf - USE f77_blas USE kinds, ONLY: dp,& int_size USE mathconstants, ONLY: fourpi,& diff --git a/src/qs_main.F b/src/qs_main.F index ae9c17b84a..382a4c870b 100644 --- a/src/qs_main.F +++ b/src/qs_main.F @@ -18,7 +18,6 @@ MODULE qs_main USE cell_types, ONLY: cell_type USE cp_para_types, ONLY: cp_para_env_type USE cp_subsys_types, ONLY: cp_subsys_type - USE f77_blas USE force_env_methods, ONLY: force_env_create USE force_env_types, ONLY: force_env_p_type,& force_env_type diff --git a/src/qs_matrix_pools.F b/src/qs_matrix_pools.F index cb2e2bd998..4842c6c18f 100644 --- a/src/qs_matrix_pools.F +++ b/src/qs_matrix_pools.F @@ -26,7 +26,6 @@ MODULE qs_matrix_pools cp_fm_struct_release,& cp_fm_struct_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE qs_mo_types, ONLY: get_mo_set,& mo_set_p_type USE timings, ONLY: timeset,& diff --git a/src/qs_mo_methods.F b/src/qs_mo_methods.F index ec3ac8a2fa..9fd5f137bc 100644 --- a/src/qs_mo_methods.F +++ b/src/qs_mo_methods.F @@ -46,7 +46,6 @@ MODULE qs_mo_methods cp_fm_type USE cp_gemm_interface, ONLY: cp_gemm USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE kinds, ONLY: dp USE message_passing, ONLY: mp_max USE physcon, ONLY: evolt diff --git a/src/qs_modify_pab_block.F b/src/qs_modify_pab_block.F index 433e8fce2e..276983dbb0 100644 --- a/src/qs_modify_pab_block.F +++ b/src/qs_modify_pab_block.F @@ -10,7 +10,7 @@ ! ***************************************************************************** MODULE qs_modify_pab_block - USE f77_blas + USE kinds, ONLY: dp USE orbital_pointers, ONLY: coset #include "./common/cp_common_uses.f90" diff --git a/src/qs_neighbor_lists.F b/src/qs_neighbor_lists.F index 6a95545ca5..8e1e449aa1 100644 --- a/src/qs_neighbor_lists.F +++ b/src/qs_neighbor_lists.F @@ -41,7 +41,6 @@ MODULE qs_neighbor_lists USE external_potential_types, ONLY: all_potential_type,& get_potential,& gth_potential_type - USE f77_blas USE input_constants, ONLY: dispersion_uff,& do_method_lrigpw,& do_se_IS_slater,& diff --git a/src/qs_ot.F b/src/qs_ot.F index 019e698c42..6ebd35af26 100644 --- a/src/qs_ot.F +++ b/src/qs_ot.F @@ -28,7 +28,6 @@ MODULE qs_ot cp_dbcsr_set, cp_dbcsr_transposed, cp_dbcsr_type, & dbcsr_distribution_mp, dbcsr_mp_group USE cp_dbcsr_util, ONLY: lanczos_alg_serial - USE f77_blas USE kinds, ONLY: dp USE message_passing, ONLY: mp_sum USE preconditioner, ONLY: apply_preconditioner diff --git a/src/qs_ot_eigensolver.F b/src/qs_ot_eigensolver.F index 6cb6c2151a..0e66abbadb 100644 --- a/src/qs_ot_eigensolver.F +++ b/src/qs_ot_eigensolver.F @@ -25,7 +25,6 @@ MODULE qs_ot_eigensolver cp_dbcsr_copy_columns_hack USE cp_fm_types, ONLY: cp_fm_get_info,& cp_fm_type - USE f77_blas USE kinds, ONLY: dp USE preconditioner_types, ONLY: preconditioner_in_use,& preconditioner_type diff --git a/src/qs_ot_minimizer.F b/src/qs_ot_minimizer.F index 3192489b2d..60a8168f72 100644 --- a/src/qs_ot_minimizer.F +++ b/src/qs_ot_minimizer.F @@ -15,7 +15,6 @@ MODULE qs_ot_minimizer cp_dbcsr_add, cp_dbcsr_copy, cp_dbcsr_get_info, cp_dbcsr_p_type, & cp_dbcsr_scale, cp_dbcsr_set, cp_dbcsr_trace, cp_dbcsr_type, & dbcsr_error_type, dbcsr_init_random - USE f77_blas USE kinds, ONLY: dp,& int_8 USE mathlib, ONLY: diamat_all diff --git a/src/qs_ot_scf.F b/src/qs_ot_scf.F index 284539b47e..90429dccd4 100644 --- a/src/qs_ot_scf.F +++ b/src/qs_ot_scf.F @@ -26,7 +26,6 @@ MODULE qs_ot_scf USE cp_fm_types, ONLY: cp_fm_type USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& section_vals_type diff --git a/src/qs_ot_types.F b/src/qs_ot_types.F index d21ec13d59..4ab5529dd5 100644 --- a/src/qs_ot_types.F +++ b/src/qs_ot_types.F @@ -34,7 +34,6 @@ MODULE qs_ot_types USE cp_para_env, ONLY: cp_para_env_release,& cp_para_env_retain USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: & ls_2pnt, ls_3pnt, ls_gold, ls_none, ot_algo_irac, & ot_algo_taylor_or_diag, ot_chol_irac, ot_lwdn_irac, ot_mini_broyden, & diff --git a/src/qs_outer_scf.F b/src/qs_outer_scf.F index 14f82498b4..5e37839666 100644 --- a/src/qs_outer_scf.F +++ b/src/qs_outer_scf.F @@ -14,7 +14,6 @@ MODULE qs_outer_scf ddapc_restraint_type,& dft_control_type,& s2_restraint_type - USE f77_blas USE input_constants, ONLY: & do_ddapc_constraint, do_s2_constraint, outer_scf_becke_constraint, & outer_scf_ddapc_constraint, outer_scf_none, & diff --git a/src/qs_p_env_methods.F b/src/qs_p_env_methods.F index 569050f648..c5a975729d 100644 --- a/src/qs_p_env_methods.F +++ b/src/qs_p_env_methods.F @@ -52,7 +52,6 @@ MODULE qs_p_env_methods USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE hartree_local_methods, ONLY: init_coulomb_local USE hartree_local_types, ONLY: hartree_local_create USE input_constants, ONLY: ot_precond_none diff --git a/src/qs_p_env_types.F b/src/qs_p_env_types.F index b6cd22e6eb..aac7beac1d 100644 --- a/src/qs_p_env_types.F +++ b/src/qs_p_env_types.F @@ -16,7 +16,6 @@ MODULE qs_p_env_types USE cp_fm_vect, ONLY: cp_fm_vect_dealloc,& cp_fm_vect_write USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE hartree_local_types, ONLY: hartree_local_release,& hartree_local_type USE kinds, ONLY: dp diff --git a/src/qs_pdos.F b/src/qs_pdos.F index ef8fdb7800..4cf650fd38 100644 --- a/src/qs_pdos.F +++ b/src/qs_pdos.F @@ -38,7 +38,6 @@ MODULE qs_pdos cp_print_key_should_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& section_vals_type,& diff --git a/src/qs_resp.F b/src/qs_resp.F index 79700f5c02..9424fdb047 100644 --- a/src/qs_resp.F +++ b/src/qs_resp.F @@ -29,7 +29,6 @@ MODULE qs_resp USE cp_realspace_grid_cube, ONLY: cp_pw_to_cube USE cp_units, ONLY: cp_unit_from_cp2k,& cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: do_resp_minus_x_dir,& do_resp_minus_y_dir,& do_resp_minus_z_dir,& diff --git a/src/qs_rho0_ggrid.F b/src/qs_rho0_ggrid.F index d4cc9a215f..e456445292 100644 --- a/src/qs_rho0_ggrid.F +++ b/src/qs_rho0_ggrid.F @@ -14,7 +14,6 @@ MODULE qs_rho0_ggrid USE cp_control_types, ONLY: dft_control_type USE cp_para_types, ONLY: cp_para_env_type USE cube_utils, ONLY: cube_info_type - USE f77_blas USE input_constants, ONLY: tddfpt_singlet USE kinds, ONLY: dp,& dp_size,& diff --git a/src/qs_rho0_methods.F b/src/qs_rho0_methods.F index ae9111d715..ee8585afdc 100644 --- a/src/qs_rho0_methods.F +++ b/src/qs_rho0_methods.F @@ -18,7 +18,6 @@ MODULE qs_rho0_methods gapw_control_type USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/qs_rho0_types.F b/src/qs_rho0_types.F index 1ccaf74012..2c50cf7493 100644 --- a/src/qs_rho0_types.F +++ b/src/qs_rho0_types.F @@ -7,7 +7,6 @@ MODULE qs_rho0_types USE cp_units, ONLY: cp_unit_from_cp2k USE erf_fn, ONLY: erf - USE f77_blas USE kinds, ONLY: dp,& dp_size,& int_size diff --git a/src/qs_rho_atom_types.F b/src/qs_rho_atom_types.F index 94684d539d..a6bf266c3e 100644 --- a/src/qs_rho_atom_types.F +++ b/src/qs_rho_atom_types.F @@ -5,7 +5,7 @@ ! ***************************************************************************** MODULE qs_rho_atom_types - USE f77_blas + USE kinds, ONLY: dp,& int_size USE termination, ONLY: stop_memory,& diff --git a/src/qs_rho_methods.F b/src/qs_rho_methods.F index e91ad1edee..3a2e79c493 100644 --- a/src/qs_rho_methods.F +++ b/src/qs_rho_methods.F @@ -21,7 +21,6 @@ MODULE qs_rho_methods cp_dbcsr_row_block_sizes, cp_dbcsr_set, cp_dbcsr_type, & dbcsr_type_symmetric USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: use_aux_fit_basis_set,& use_orb_basis_set USE kinds, ONLY: default_string_length,& diff --git a/src/qs_rho_types.F b/src/qs_rho_types.F index 9777c72bad..7783d22e9c 100644 --- a/src/qs_rho_types.F +++ b/src/qs_rho_types.F @@ -15,7 +15,6 @@ MODULE qs_rho_types USE cp_dbcsr_interface, ONLY: cp_dbcsr_deallocate_matrix_set,& cp_dbcsr_p_type - USE f77_blas USE kinds, ONLY: dp USE pw_types, ONLY: pw_p_type,& pw_release diff --git a/src/qs_scf.F b/src/qs_scf.F index 37b0f07084..548c5e5549 100644 --- a/src/qs_scf.F +++ b/src/qs_scf.F @@ -62,7 +62,6 @@ MODULE qs_scf USE cp_result_methods, ONLY: get_results,& test_for_result USE cp_result_types, ONLY: cp_result_type - USE f77_blas USE harris_env_types, ONLY: harris_env_type USE harris_functional, ONLY: harris_postprocessing USE input_constants, ONLY: do_method_mndo,& diff --git a/src/qs_scf_initialization.F b/src/qs_scf_initialization.F index 3833c06b6d..184c73df2a 100644 --- a/src/qs_scf_initialization.F +++ b/src/qs_scf_initialization.F @@ -41,7 +41,6 @@ MODULE qs_scf_initialization cp_print_key_should_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: & broy_mix, broy_mix_new, cholesky_dbcsr, cholesky_inverse, & cholesky_off, densities_guess, diag_block_davidson, diag_block_krylov, & diff --git a/src/qs_scf_loop_utils.F b/src/qs_scf_loop_utils.F index 59b4c58e48..50db8aa89a 100644 --- a/src/qs_scf_loop_utils.F +++ b/src/qs_scf_loop_utils.F @@ -13,7 +13,6 @@ MODULE qs_scf_loop_utils cp_dbcsr_type USE cp_external_control, ONLY: external_control USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE harris_env_types, ONLY: harris_env_type USE harris_functional, ONLY: harris_eigenvalue_calculation,& harris_eigenvalue_trace_KS_Pmix,& diff --git a/src/qs_scf_methods.F b/src/qs_scf_methods.F index d3a006e0e0..2147aae5d7 100644 --- a/src/qs_scf_methods.F +++ b/src/qs_scf_methods.F @@ -38,7 +38,6 @@ MODULE qs_scf_methods cp_fm_type USE cp_gemm_interface, ONLY: cp_gemm USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: cholesky_inverse,& cholesky_off,& cholesky_reduce,& diff --git a/src/qs_scf_output.F b/src/qs_scf_output.F index b59ee67141..20feaf3a6b 100644 --- a/src/qs_scf_output.F +++ b/src/qs_scf_output.F @@ -13,7 +13,6 @@ MODULE qs_scf_output cp_print_key_should_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type USE kahan_sum, ONLY: accurate_sum diff --git a/src/qs_scf_post_gpw.F b/src/qs_scf_post_gpw.F index 1dbf01c9dd..356c077011 100644 --- a/src/qs_scf_post_gpw.F +++ b/src/qs_scf_post_gpw.F @@ -51,7 +51,6 @@ MODULE qs_scf_post_gpw put_results USE cp_result_types, ONLY: cp_result_type USE et_coupling_types, ONLY: set_et_coupling_type - USE f77_blas USE hfx_ri_gemopt, ONLY: geminal_optimize USE hirschfeld_methods, ONLY: comp_hirschfeld_charges,& comp_hirschfeld_i_charges,& diff --git a/src/qs_scf_post_se.F b/src/qs_scf_post_se.F index 6e4f43ec05..5b3eb3b33d 100644 --- a/src/qs_scf_post_se.F +++ b/src/qs_scf_post_se.F @@ -11,7 +11,7 @@ !> \author Teodoro Laino (07.2008) ! ***************************************************************************** MODULE qs_scf_post_se -! USE f77_blas +! USE ai_moments, ONLY: moment USE atomic_kind_types, ONLY: atomic_kind_type,& get_atomic_kind diff --git a/src/qs_scf_types.F b/src/qs_scf_types.F index 33e1ffa177..281aa6ff71 100644 --- a/src/qs_scf_types.F +++ b/src/qs_scf_types.F @@ -18,7 +18,6 @@ MODULE qs_scf_types cp_fm_release,& cp_fm_type USE cp_fm_vect, ONLY: cp_fm_vect_dealloc - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/qs_scf_wfn_mix.F b/src/qs_scf_wfn_mix.F index 0282d67e77..6dc20502f6 100644 --- a/src/qs_scf_wfn_mix.F +++ b/src/qs_scf_wfn_mix.F @@ -22,7 +22,6 @@ MODULE qs_scf_wfn_mix cp_fm_release,& cp_fm_to_fm,& cp_fm_type - USE f77_blas USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& section_vals_type,& diff --git a/src/qs_subsys_methods.F b/src/qs_subsys_methods.F index 3561f7c320..7a5dcfbb7f 100644 --- a/src/qs_subsys_methods.F +++ b/src/qs_subsys_methods.F @@ -27,7 +27,6 @@ MODULE qs_subsys_methods USE external_potential_types, ONLY: all_potential_type,& get_potential,& gth_potential_type - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type USE kinds, ONLY: dp diff --git a/src/qs_subsys_types.F b/src/qs_subsys_types.F index 7c34cc484f..f4dccf3918 100644 --- a/src/qs_subsys_types.F +++ b/src/qs_subsys_types.F @@ -23,7 +23,6 @@ MODULE qs_subsys_types cp_subsys_set,& cp_subsys_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE mol_kind_new_list_types, ONLY: mol_kind_new_list_type USE mol_new_list_types, ONLY: mol_new_list_type USE molecule_kind_types, ONLY: molecule_kind_type diff --git a/src/qs_tddfpt_eigensolver.F b/src/qs_tddfpt_eigensolver.F index 5bc768ffcd..bade0c2371 100644 --- a/src/qs_tddfpt_eigensolver.F +++ b/src/qs_tddfpt_eigensolver.F @@ -31,7 +31,6 @@ MODULE qs_tddfpt_eigensolver cp_fm_set_element,& cp_fm_to_fm USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: tddfpt_davidson,& tddfpt_lanczos USE kinds, ONLY: default_string_length,& diff --git a/src/qs_tddfpt_module.F b/src/qs_tddfpt_module.F index 0ea24de85a..030b66fe93 100644 --- a/src/qs_tddfpt_module.F +++ b/src/qs_tddfpt_module.F @@ -14,7 +14,6 @@ MODULE qs_tddfpt_module USE cp_dbcsr_interface, ONLY: cp_dbcsr_p_type USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE header, ONLY: tddfpt_header USE input_constants, ONLY: oe_gllb,& oe_lb,& diff --git a/src/qs_tddfpt_types.F b/src/qs_tddfpt_types.F index 69ec5bc2e6..b737f70255 100644 --- a/src/qs_tddfpt_types.F +++ b/src/qs_tddfpt_types.F @@ -17,7 +17,6 @@ MODULE qs_tddfpt_types cp_fm_p_type,& cp_fm_release USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE kinds, ONLY: dp,& dp_size,& int_size diff --git a/src/qs_wf_history_methods.F b/src/qs_wf_history_methods.F index 1e003602bf..2c42d863a3 100644 --- a/src/qs_wf_history_methods.F +++ b/src/qs_wf_history_methods.F @@ -47,7 +47,6 @@ MODULE qs_wf_history_methods USE cp_gemm_interface, ONLY: cp_gemm USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE input_constants, ONLY: & wfi_aspc_nr, wfi_frozen_method_nr, wfi_linear_p_method_nr, & wfi_linear_ps_method_nr, wfi_linear_wf_method_nr, wfi_ps_method_nr, & diff --git a/src/qs_wf_history_types.F b/src/qs_wf_history_types.F index 45704030f1..07fdae27fc 100644 --- a/src/qs_wf_history_types.F +++ b/src/qs_wf_history_types.F @@ -18,7 +18,6 @@ MODULE qs_wf_history_types cp_dbcsr_type USE cp_fm_types, ONLY: cp_fm_p_type,& cp_fm_release - USE f77_blas USE kinds, ONLY: dp USE pw_types, ONLY: pw_p_type USE qs_rho_types, ONLY: qs_rho_release,& diff --git a/src/rel_control_types.F b/src/rel_control_types.F index 02f6000b55..968295449b 100644 --- a/src/rel_control_types.F +++ b/src/rel_control_types.F @@ -12,7 +12,7 @@ ! ***************************************************************************** MODULE rel_control_types - USE f77_blas + USE input_constants, ONLY: rel_none,& rel_pot_full,& rel_trans_full,& diff --git a/src/replica_methods.F b/src/replica_methods.F index b31be1d860..871a503fde 100644 --- a/src/replica_methods.F +++ b/src/replica_methods.F @@ -25,7 +25,6 @@ MODULE replica_methods USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_set,& cp_subsys_type - USE f77_blas USE f77_interface, ONLY: calc_force,& create_force_env,& f_env_add_defaults,& diff --git a/src/replica_types.F b/src/replica_types.F index 032ff7d24f..d4eb890a2f 100644 --- a/src/replica_types.F +++ b/src/replica_types.F @@ -27,7 +27,6 @@ MODULE replica_types USE cp_result_methods, ONLY: cp_results_mp_bcast USE cp_result_types, ONLY: cp_result_p_type,& cp_result_release - USE f77_blas USE f77_interface, ONLY: destroy_force_env,& f_env_add_defaults,& f_env_rm_defaults,& diff --git a/src/restraint.F b/src/restraint.F index 3fc637725f..6780cb9f45 100644 --- a/src/restraint.F +++ b/src/restraint.F @@ -26,7 +26,6 @@ MODULE restraint USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE force_env_types, ONLY: force_env_get,& force_env_set,& force_env_type diff --git a/src/rmsd.F b/src/rmsd.F index 0c430b02e8..960f0d6e24 100644 --- a/src/rmsd.F +++ b/src/rmsd.F @@ -8,7 +8,7 @@ !> \author Teodoro Laino 09.2006 ! ***************************************************************************** MODULE rmsd - USE f77_blas + USE kinds, ONLY: dp USE mathlib, ONLY: diamat_all,& matvec_3x3 diff --git a/src/rpa_ri_gpw.F b/src/rpa_ri_gpw.F index f69d0503cc..3e5fc25e17 100644 --- a/src/rpa_ri_gpw.F +++ b/src/rpa_ri_gpw.F @@ -9,7 +9,7 @@ !> 06.2012 created [Mauro Del Ben] ! ***************************************************************************** MODULE rpa_ri_gpw -! USE f77_blas +! USE cp_blacs_env, ONLY: cp_blacs_env_create,& cp_blacs_env_release,& cp_blacs_env_type diff --git a/src/rt_hfx_utils.F b/src/rt_hfx_utils.F index 224fb498a7..65a8a5272d 100644 --- a/src/rt_hfx_utils.F +++ b/src/rt_hfx_utils.F @@ -18,7 +18,6 @@ MODULE rt_hfx_utils cp_dbcsr_create, cp_dbcsr_deallocate_matrix_set, & cp_dbcsr_distribution, cp_dbcsr_init, cp_dbcsr_p_type, & cp_dbcsr_row_block_sizes, cp_dbcsr_set, dbcsr_type_antisymmetric - USE f77_blas USE kinds, ONLY: default_string_length,& dp USE qs_environment_types, ONLY: get_qs_env,& diff --git a/src/s_square_methods.F b/src/s_square_methods.F index f74727cf30..8ff2976892 100644 --- a/src/s_square_methods.F +++ b/src/s_square_methods.F @@ -25,7 +25,6 @@ MODULE s_square_methods cp_fm_type USE cp_gemm_interface, ONLY: cp_gemm USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: do_s2_constraint,& do_s2_restraint USE kinds, ONLY: dp diff --git a/src/scf_control_types.F b/src/scf_control_types.F index a76d6f3a3f..8c1041e24b 100644 --- a/src/scf_control_types.F +++ b/src/scf_control_types.F @@ -17,7 +17,6 @@ MODULE scf_control_types USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr USE cp_units, ONLY: cp_unit_from_cp2k - USE f77_blas USE input_constants, ONLY: & atomic_guess, core_guess, diag_ot, direct_p_mix, general_roks, & high_spin_roks, ot_algo_taylor_or_diag, outer_scf_becke_constraint, & diff --git a/src/scp_coeff_types.F b/src/scp_coeff_types.F index ba1ab682ae..d360919a2f 100644 --- a/src/scp_coeff_types.F +++ b/src/scp_coeff_types.F @@ -18,7 +18,6 @@ MODULE scp_coeff_types USE distribution_1d_types, ONLY: distribution_1d_release,& distribution_1d_retain,& distribution_1d_type - USE f77_blas USE input_constants, ONLY: copy_coeff,& copy_fcoeff,& use_aux_basis_set diff --git a/src/scp_delta_fock_matrix.F b/src/scp_delta_fock_matrix.F index d8686f10b0..2943d4f19c 100644 --- a/src/scp_delta_fock_matrix.F +++ b/src/scp_delta_fock_matrix.F @@ -31,7 +31,6 @@ MODULE scp_delta_fock_matrix ewald_environment_type USE ewald_pw_types, ONLY: ewald_pw_get,& ewald_pw_type - USE f77_blas USE input_constants, ONLY: & do_method_am1, do_method_mndo, do_method_mndod, do_method_pdg, & do_method_pm3, do_method_pm6, do_method_pnnl, do_method_rm1, & diff --git a/src/scp_diis_utils.F b/src/scp_diis_utils.F index 4ea4524443..ad7f007968 100644 --- a/src/scp_diis_utils.F +++ b/src/scp_diis_utils.F @@ -7,7 +7,6 @@ MODULE scp_diis_utils USE atomic_kind_types, ONLY: atomic_kind_type - USE f77_blas USE kinds, ONLY: dp,& dp_size USE linear_systems, ONLY: solve_system diff --git a/src/scp_energy_types.F b/src/scp_energy_types.F index c49aa6fc49..7e9d8288a5 100644 --- a/src/scp_energy_types.F +++ b/src/scp_energy_types.F @@ -4,7 +4,7 @@ !-----------------------------------------------------------------------------! ! ***************************************************************************** MODULE scp_energy_types - USE f77_blas + USE kinds, ONLY: dp USE termination, ONLY: stop_memory,& stop_program diff --git a/src/scp_environment.F b/src/scp_environment.F index 33c3307920..cdff7e6635 100644 --- a/src/scp_environment.F +++ b/src/scp_environment.F @@ -17,7 +17,6 @@ MODULE scp_environment cp_dbcsr_get_info, cp_dbcsr_init, cp_dbcsr_set, cp_dbcsr_type, & dbcsr_distribution_obj, dbcsr_repl_full, dbcsr_type_symmetric USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: do_method_pnnl,& use_scp_basis_set USE input_section_types, ONLY: section_vals_get_subs_vals,& diff --git a/src/scp_environment_types.F b/src/scp_environment_types.F index 2f02ae1842..9990364283 100644 --- a/src/scp_environment_types.F +++ b/src/scp_environment_types.F @@ -15,7 +15,6 @@ MODULE scp_environment_types USE cp_para_env, ONLY: cp_para_env_release,& cp_para_env_retain USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_release,& section_vals_retain,& section_vals_type diff --git a/src/scp_fock_matrix_integrals.F b/src/scp_fock_matrix_integrals.F index f909161a9c..6e06ed1863 100644 --- a/src/scp_fock_matrix_integrals.F +++ b/src/scp_fock_matrix_integrals.F @@ -10,7 +10,7 @@ !> \par History ! ***************************************************************************** MODULE scp_fock_matrix_integrals - USE f77_blas + USE kinds, ONLY: dp USE semi_empirical_int_arrays, ONLY: se_orbital_pointer USE semi_empirical_integrals, ONLY: drotint,& diff --git a/src/scptb_core_interactions.F b/src/scptb_core_interactions.F index 8fbf31b8e2..4cd3641ded 100644 --- a/src/scptb_core_interactions.F +++ b/src/scptb_core_interactions.F @@ -17,7 +17,6 @@ MODULE scptb_core_interactions USE cell_types, ONLY: cell_type USE cp_control_types, ONLY: dft_control_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE kinds, ONLY: dp USE message_passing, ONLY: mp_sum USE particle_types, ONLY: particle_type diff --git a/src/scptb_core_matrix.F b/src/scptb_core_matrix.F index d5317afbae..c0bbb495c2 100644 --- a/src/scptb_core_matrix.F +++ b/src/scptb_core_matrix.F @@ -23,7 +23,6 @@ MODULE scptb_core_matrix cp_dbcsr_p_type USE cp_output_handling, ONLY: cp_print_key_should_output USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: use_orb_basis_set USE kinds, ONLY: dp USE kpoint_types, ONLY: get_kpoint_info,& diff --git a/src/scptb_ks_matrix.F b/src/scptb_ks_matrix.F index b8e6cc8a21..c23ae5f92f 100644 --- a/src/scptb_ks_matrix.F +++ b/src/scptb_ks_matrix.F @@ -30,7 +30,6 @@ MODULE scptb_ks_matrix USE ewald_environment_types, ONLY: ewald_env_get,& ewald_environment_type USE ewald_pw_types, ONLY: ewald_pw_type - USE f77_blas USE gamma, ONLY: fgamma_0 USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type diff --git a/src/scptb_parameters.F b/src/scptb_parameters.F index 94241e2ff9..f90a424ab4 100644 --- a/src/scptb_parameters.F +++ b/src/scptb_parameters.F @@ -20,7 +20,7 @@ !> \author JGH (12.2012) ! ***************************************************************************** MODULE scptb_parameters - USE f77_blas + USE kinds, ONLY: dp USE periodic_table, ONLY: ptable USE scptb_types, ONLY: scptb_parameter_type diff --git a/src/scptb_types.F b/src/scptb_types.F index 6612f1970c..f17e93a149 100644 --- a/src/scptb_types.F +++ b/src/scptb_types.F @@ -14,7 +14,6 @@ MODULE scptb_types cp_print_key_should_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_type USE kinds, ONLY: default_string_length,& dp diff --git a/src/scptb_utils.F b/src/scptb_utils.F index dd3d8ab93d..9038643efb 100644 --- a/src/scptb_utils.F +++ b/src/scptb_utils.F @@ -23,7 +23,6 @@ MODULE scptb_utils cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type USE external_potential_types, ONLY: set_potential - USE f77_blas USE input_section_types, ONLY: section_vals_type USE kinds, ONLY: default_string_length,& dp diff --git a/src/se_core_core.F b/src/se_core_core.F index 3a18487c14..2c1f27aec5 100644 --- a/src/se_core_core.F +++ b/src/se_core_core.F @@ -22,7 +22,6 @@ MODULE se_core_core ewald_environment_type USE ewald_pw_types, ONLY: ewald_pw_get,& ewald_pw_type - USE f77_blas USE input_constants, ONLY: do_method_am1,& do_method_mndo,& do_method_mndod,& diff --git a/src/se_core_matrix.F b/src/se_core_matrix.F index bf7d6a1978..9a4406f999 100644 --- a/src/se_core_matrix.F +++ b/src/se_core_matrix.F @@ -25,7 +25,6 @@ MODULE se_core_matrix cp_print_key_should_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: & do_method_am1, do_method_mndo, do_method_mndod, do_method_pdg, & do_method_pm3, do_method_pm6, do_method_pnnl, do_method_rm1, & diff --git a/src/se_fock_matrix_coulomb_ga.F b/src/se_fock_matrix_coulomb_ga.F index ecd1d58527..b815255e13 100644 --- a/src/se_fock_matrix_coulomb_ga.F +++ b/src/se_fock_matrix_coulomb_ga.F @@ -33,7 +33,6 @@ MODULE se_fock_matrix_coulomb_ga USE ewald_pw_types, ONLY: ewald_pw_get,& ewald_pw_type USE ewalds_multipole, ONLY: ewald_multipole_evaluate - USE f77_blas USE fist_neighbor_list_control, ONLY: list_control USE fist_nonbond_env_types, ONLY: fist_nonbond_env_type USE ga_environment_types, ONLY: ga_environment_type,& diff --git a/src/se_fock_matrix_coulomb_mpi.F b/src/se_fock_matrix_coulomb_mpi.F index 38c3985c52..4ad735bc53 100644 --- a/src/se_fock_matrix_coulomb_mpi.F +++ b/src/se_fock_matrix_coulomb_mpi.F @@ -36,7 +36,6 @@ MODULE se_fock_matrix_coulomb_mpi USE ewald_pw_types, ONLY: ewald_pw_get,& ewald_pw_type USE ewalds_multipole, ONLY: ewald_multipole_evaluate - USE f77_blas USE fist_neighbor_list_control, ONLY: list_control USE fist_nonbond_env_types, ONLY: fist_nonbond_env_type USE input_constants, ONLY: & diff --git a/src/se_fock_matrix_dbg.F b/src/se_fock_matrix_dbg.F index 2f33c053aa..cf989da833 100644 --- a/src/se_fock_matrix_dbg.F +++ b/src/se_fock_matrix_dbg.F @@ -7,7 +7,6 @@ MODULE se_fock_matrix_dbg USE cp_dbcsr_interface, ONLY: cp_dbcsr_p_type,& cp_dbcsr_set,& cp_dbcsr_trace - USE f77_blas USE kinds, ONLY: dp USE qs_energy_types, ONLY: init_qs_energy,& qs_energy_type diff --git a/src/se_fock_matrix_exchange.F b/src/se_fock_matrix_exchange.F index 848e7b52cf..b57ce9622c 100644 --- a/src/se_fock_matrix_exchange.F +++ b/src/se_fock_matrix_exchange.F @@ -20,7 +20,6 @@ MODULE se_fock_matrix_exchange USE cp_dbcsr_interface, ONLY: cp_dbcsr_get_block_p,& cp_dbcsr_p_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: do_se_IS_kdso,& do_se_IS_kdso_d USE kinds, ONLY: dp diff --git a/src/se_fock_matrix_ga.F b/src/se_fock_matrix_ga.F index dbd7bdffeb..46bfea3b1d 100644 --- a/src/se_fock_matrix_ga.F +++ b/src/se_fock_matrix_ga.F @@ -25,7 +25,6 @@ MODULE se_fock_matrix_ga USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: do_method_am1,& do_method_mndo,& do_method_mndod,& diff --git a/src/se_fock_matrix_integrals.F b/src/se_fock_matrix_integrals.F index 035109f371..1098886d71 100644 --- a/src/se_fock_matrix_integrals.F +++ b/src/se_fock_matrix_integrals.F @@ -14,7 +14,7 @@ !> Teodoro Laino (09.2008) [tlaino] - University of Zurich : Periodic SE ! ***************************************************************************** MODULE se_fock_matrix_integrals - USE f77_blas + USE kinds, ONLY: dp USE semi_empirical_int_arrays, ONLY: se_orbital_pointer USE semi_empirical_integrals, ONLY: drotint,& diff --git a/src/se_fock_matrix_mpi.F b/src/se_fock_matrix_mpi.F index 8b04f66c0b..3b00d744d0 100644 --- a/src/se_fock_matrix_mpi.F +++ b/src/se_fock_matrix_mpi.F @@ -28,7 +28,6 @@ MODULE se_fock_matrix_mpi USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: do_method_am1,& do_method_mndo,& do_method_mndod,& diff --git a/src/semi_empirical_expns3_methods.F b/src/semi_empirical_expns3_methods.F index d921c855dc..7fedea82d4 100644 --- a/src/semi_empirical_expns3_methods.F +++ b/src/semi_empirical_expns3_methods.F @@ -9,7 +9,6 @@ ! ***************************************************************************** MODULE semi_empirical_expns3_methods USE cp_control_types, ONLY: semi_empirical_control_type - USE f77_blas USE input_constants, ONLY: do_method_undef USE kinds, ONLY: dp USE qs_kind_types, ONLY: get_qs_kind,& diff --git a/src/semi_empirical_expns3_types.F b/src/semi_empirical_expns3_types.F index c5df30527e..38f1218a7c 100644 --- a/src/semi_empirical_expns3_types.F +++ b/src/semi_empirical_expns3_types.F @@ -8,7 +8,7 @@ !> \author Teodoro Laino [tlaino] - 12.2008 ! ***************************************************************************** MODULE semi_empirical_expns3_types - USE f77_blas + USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/semi_empirical_int3_utils.F b/src/semi_empirical_int3_utils.F index 27e2f26494..36fb82fe91 100644 --- a/src/semi_empirical_int3_utils.F +++ b/src/semi_empirical_int3_utils.F @@ -10,7 +10,7 @@ ! ***************************************************************************** MODULE semi_empirical_int3_utils - USE f77_blas + USE input_constants, ONLY: do_method_pchg USE kinds, ONLY: dp USE semi_empirical_int_arrays, ONLY: clm_d,& diff --git a/src/semi_empirical_int_ana.F b/src/semi_empirical_int_ana.F index 8340aa53dd..8a79f7e0dd 100644 --- a/src/semi_empirical_int_ana.F +++ b/src/semi_empirical_int_ana.F @@ -15,7 +15,7 @@ ! ***************************************************************************** MODULE semi_empirical_int_ana - USE f77_blas + USE input_constants, ONLY: do_method_am1,& do_method_pchg,& do_method_pdg,& diff --git a/src/semi_empirical_int_arrays.F b/src/semi_empirical_int_arrays.F index f79e442222..e9890690ff 100644 --- a/src/semi_empirical_int_arrays.F +++ b/src/semi_empirical_int_arrays.F @@ -14,7 +14,7 @@ ! ***************************************************************************** MODULE semi_empirical_int_arrays - USE f77_blas + USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/semi_empirical_int_debug.F b/src/semi_empirical_int_debug.F index 1ff359ff4c..dfaaa64709 100644 --- a/src/semi_empirical_int_debug.F +++ b/src/semi_empirical_int_debug.F @@ -16,7 +16,7 @@ !> \author Teodoro Laino [tlaino] - University of Zurich ! ***************************************************************************** SUBROUTINE check_rotmat_der( sepi, sepj, rjiv, ij_matrix, do_invert, error) - USE f77_blas + USE kinds, ONLY: dp USE semi_empirical_int_utils, ONLY: rotmat USE semi_empirical_types, ONLY: rotmat_create,& @@ -152,7 +152,7 @@ END SUBROUTINE check_rotmat_der !> Debug routine ! ***************************************************************************** SUBROUTINE rot_2el_2c_first_debug(sepi, sepj, rijv, se_int_control, se_taper, invert, ii, kk, v_d, error) - USE f77_blas + USE kinds, ONLY: dp USE semi_empirical_int_utils, ONLY: rotmat USE semi_empirical_int_arrays, ONLY: indexb @@ -257,7 +257,7 @@ END SUBROUTINE rot_2el_2c_first_debug !> Debug routine ! ***************************************************************************** SUBROUTINE check_dssss_nucint_ana (sepi,sepj,r,dssss,itype,se_int_control,se_taper,error) - USE f77_blas + USE kinds, ONLY: dp USE semi_empirical_int_num, ONLY: ssss_nucint_num USE semi_empirical_types, ONLY: semi_empirical_type,& @@ -311,7 +311,7 @@ END SUBROUTINE check_dssss_nucint_ana !> Debug routine ! ***************************************************************************** SUBROUTINE check_dcore_nucint_ana (sepi,sepj,r,dcore,itype,se_int_control,se_taper,error) - USE f77_blas + USE kinds, ONLY: dp USE semi_empirical_int_num, ONLY: core_nucint_num USE semi_empirical_types, ONLY: semi_empirical_type,& @@ -413,7 +413,7 @@ END FUNCTION check_value !> Debug routine ! ***************************************************************************** SUBROUTINE check_drotnuc_ana(sepi, sepj, rijv, itype, se_int_control, se_taper, e1b, e2a, de1b, de2a, error) - USE f77_blas + USE kinds, ONLY: dp USE semi_empirical_int_num, ONLY: rotnuc_num,& drotnuc_num @@ -520,7 +520,7 @@ END SUBROUTINE check_drotnuc_ana !> Debug routine ! ***************************************************************************** SUBROUTINE check_dcorecore_ana(sepi, sepj, rijv, itype,se_int_control, se_taper, enuc, denuc, error) - USE f77_blas + USE kinds, ONLY: dp USE semi_empirical_int_num, ONLY: corecore_num,& dcorecore_num @@ -586,7 +586,7 @@ END SUBROUTINE check_dcorecore_ana !> Debug routine ! ***************************************************************************** SUBROUTINE check_dterep_ana (sepi,sepj,r,ri,dri,se_int_control,se_taper,lgrad,error) - USE f77_blas + USE kinds, ONLY: dp USE semi_empirical_int_num, ONLY: terep_num USE semi_empirical_types, ONLY: semi_empirical_type,& @@ -658,7 +658,7 @@ END SUBROUTINE check_dterep_ana !> Debug routine ! ***************************************************************************** SUBROUTINE check_rotint_ana(sepi,sepj,rijv,w,dw,se_int_control,se_taper,error) - USE f77_blas + USE kinds, ONLY: dp USE semi_empirical_int_num, ONLY: rotint_num,& drotint_num diff --git a/src/semi_empirical_int_debug.h b/src/semi_empirical_int_debug.h index 868ec8fa4e..cc057711b3 100644 --- a/src/semi_empirical_int_debug.h +++ b/src/semi_empirical_int_debug.h @@ -11,7 +11,6 @@ ! ***************************************************************************** INTERFACE check_rotmat_der SUBROUTINE check_rotmat_der( sepi, sepj, rjiv, ij_matrix, do_invert, error) - USE f77_blas USE kinds, ONLY: dp USE semi_empirical_types, ONLY: rotmat_type,& semi_empirical_type @@ -36,7 +35,6 @@ END INTERFACE check_rotmat_der INTERFACE check_dssss_nucint_ana SUBROUTINE check_dssss_nucint_ana (sepi,sepj,r,dssss,itype,se_int_control,& se_taper,error) - USE f77_blas USE kinds, ONLY: dp USE semi_empirical_types, ONLY: semi_empirical_type,& se_int_control_type,& @@ -64,7 +62,6 @@ END INTERFACE check_dssss_nucint_ana INTERFACE check_dcore_nucint_ana SUBROUTINE check_dcore_nucint_ana (sepi,sepj,r,dcore,itype,se_int_control,& se_taper,error) - USE f77_blas USE kinds, ONLY: dp USE semi_empirical_types, ONLY: semi_empirical_type,& se_int_control_type,& @@ -92,7 +89,6 @@ END INTERFACE check_dcore_nucint_ana INTERFACE check_drotnuc_ana SUBROUTINE check_drotnuc_ana(sepi, sepj, rijv, itype, se_int_control, se_taper,& e1b, e2a, de1b, de2a, error) - USE f77_blas USE kinds, ONLY: dp USE semi_empirical_types, ONLY: semi_empirical_type,& se_int_control_type,& @@ -123,7 +119,6 @@ END INTERFACE check_drotnuc_ana INTERFACE check_dcorecore_ana SUBROUTINE check_dcorecore_ana(sepi, sepj, rijv, itype,se_int_control,& se_taper, enuc, denuc, error) - USE f77_blas USE kinds, ONLY: dp USE semi_empirical_types, ONLY: semi_empirical_type,& se_int_control_type,& @@ -154,7 +149,6 @@ END INTERFACE check_dcorecore_ana INTERFACE rot_2el_2c_first_debug SUBROUTINE rot_2el_2c_first_debug(sepi, sepj, rijv, se_int_control, se_taper,& invert, ii, kk, v_d, error) - USE f77_blas USE kinds, ONLY: dp USE semi_empirical_types, ONLY: semi_empirical_type,& se_int_control_type,& @@ -183,7 +177,6 @@ END INTERFACE rot_2el_2c_first_debug ! ***************************************************************************** INTERFACE check_dterep_ana SUBROUTINE check_dterep_ana (sepi,sepj,r,ri,dri,se_int_control,se_taper,lgrad,error) - USE f77_blas USE kinds, ONLY: dp USE semi_empirical_types, ONLY: semi_empirical_type,& se_int_control_type,& @@ -210,7 +203,6 @@ END INTERFACE check_dterep_ana ! ***************************************************************************** INTERFACE check_rotint_ana SUBROUTINE check_rotint_ana(sepi,sepj,rijv,w,dw,se_int_control,se_taper,error) - USE f77_blas USE kinds, ONLY: dp USE semi_empirical_types, ONLY: semi_empirical_type,& se_int_control_type,& diff --git a/src/semi_empirical_int_gks.F b/src/semi_empirical_int_gks.F index 77437f5a6c..a8d26602ca 100644 --- a/src/semi_empirical_int_gks.F +++ b/src/semi_empirical_int_gks.F @@ -21,7 +21,6 @@ MODULE semi_empirical_int_gks USE dg_types, ONLY: dg_get,& dg_type USE erf_fn, ONLY: erfc - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: fourpi,& oorootpi diff --git a/src/semi_empirical_int_num.F b/src/semi_empirical_int_num.F index e651e4c381..5e6b77be00 100644 --- a/src/semi_empirical_int_num.F +++ b/src/semi_empirical_int_num.F @@ -14,7 +14,7 @@ ! ***************************************************************************** MODULE semi_empirical_int_num - USE f77_blas + USE input_constants, ONLY: do_method_am1,& do_method_pchg,& do_method_pdg,& diff --git a/src/semi_empirical_int_utils.F b/src/semi_empirical_int_utils.F index e243200f30..164a9f62d1 100644 --- a/src/semi_empirical_int_utils.F +++ b/src/semi_empirical_int_utils.F @@ -9,7 +9,7 @@ ! ***************************************************************************** MODULE semi_empirical_int_utils - USE f77_blas + USE input_constants, ONLY: do_method_pchg,& do_se_IS_kdso_d USE kinds, ONLY: dp diff --git a/src/semi_empirical_integrals.F b/src/semi_empirical_integrals.F index 00b24c7a7a..8bf60e8cd9 100644 --- a/src/semi_empirical_integrals.F +++ b/src/semi_empirical_integrals.F @@ -13,7 +13,7 @@ ! ***************************************************************************** MODULE semi_empirical_integrals - USE f77_blas + USE hfx_compression_methods, ONLY: hfx_add_mult_cache_elements,& hfx_get_mult_cache_elements USE input_constants, ONLY: do_se_IS_slater diff --git a/src/semi_empirical_mpole_methods.F b/src/semi_empirical_mpole_methods.F index b942b3cefc..3599e8f8fc 100644 --- a/src/semi_empirical_mpole_methods.F +++ b/src/semi_empirical_mpole_methods.F @@ -8,7 +8,7 @@ !> \author Teodoro Laino [tlaino] - 08.2008 Zurich University ! ***************************************************************************** MODULE semi_empirical_mpole_methods - USE f77_blas + USE input_constants, ONLY: do_method_pnnl USE kinds, ONLY: dp USE semi_empirical_int_arrays, ONLY: alm,& diff --git a/src/semi_empirical_mpole_types.F b/src/semi_empirical_mpole_types.F index ceba00c33d..ba74951ab0 100644 --- a/src/semi_empirical_mpole_types.F +++ b/src/semi_empirical_mpole_types.F @@ -8,7 +8,7 @@ !> \author Teodoro Laino [tlaino] - 08.2008 Zurich University ! ***************************************************************************** MODULE semi_empirical_mpole_types - USE f77_blas + USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/semi_empirical_par_utils.F b/src/semi_empirical_par_utils.F index c915651590..96c073ef01 100644 --- a/src/semi_empirical_par_utils.F +++ b/src/semi_empirical_par_utils.F @@ -12,7 +12,7 @@ !> \date 03.2008 [tlaino] ! ***************************************************************************** MODULE semi_empirical_par_utils - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: fac USE mathlib, ONLY: binomial diff --git a/src/semi_empirical_parameters.F b/src/semi_empirical_parameters.F index 740e688a68..dd7ad087ca 100644 --- a/src/semi_empirical_parameters.F +++ b/src/semi_empirical_parameters.F @@ -37,7 +37,7 @@ !> \author JGH (14.08.2004) ! ***************************************************************************** MODULE semi_empirical_parameters - USE f77_blas + USE input_constants, ONLY: do_method_am1,& do_method_mndod,& do_method_pchg,& diff --git a/src/semi_empirical_store_int_types.F b/src/semi_empirical_store_int_types.F index 73399e4e8c..f3d2a9747a 100644 --- a/src/semi_empirical_store_int_types.F +++ b/src/semi_empirical_store_int_types.F @@ -10,7 +10,7 @@ ! ***************************************************************************** MODULE semi_empirical_store_int_types - USE f77_blas + USE hfx_compression_methods, ONLY: hfx_decompress_first_cache,& hfx_flush_last_cache,& hfx_reset_cache_and_container diff --git a/src/semi_empirical_types.F b/src/semi_empirical_types.F index a65e5e0465..19655acbf6 100644 --- a/src/semi_empirical_types.F +++ b/src/semi_empirical_types.F @@ -15,7 +15,6 @@ MODULE semi_empirical_types cp_print_key_should_output,& cp_print_key_unit_nr USE dg_types, ONLY: dg_type - USE f77_blas USE input_constants, ONLY: & do_method_am1, do_method_mndo, do_method_mndod, do_method_pdg, & do_method_pm3, do_method_pm6, do_method_pnnl, do_method_rm1, & diff --git a/src/semi_empirical_utils.F b/src/semi_empirical_utils.F index cb2cd1f81c..1fe510d1c3 100644 --- a/src/semi_empirical_utils.F +++ b/src/semi_empirical_utils.F @@ -15,7 +15,6 @@ MODULE semi_empirical_utils USE cell_types, ONLY: cell_type,& plane_distance USE cp_control_types, ONLY: semi_empirical_control_type - USE f77_blas USE input_constants, ONLY: & do_method_am1, do_method_mndo, do_method_mndod, do_method_pchg, & do_method_pdg, do_method_pm3, do_method_pm6, do_method_pnnl, & diff --git a/src/simpar_types.F b/src/simpar_types.F index 00598ebcf0..2720c8295b 100644 --- a/src/simpar_types.F +++ b/src/simpar_types.F @@ -10,7 +10,7 @@ !> reorganization of the original routines/modules ! ***************************************************************************** MODULE simpar_types - USE f77_blas + USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/soft_basis_set.F b/src/soft_basis_set.F index 8665fdec83..75b3f05a83 100644 --- a/src/soft_basis_set.F +++ b/src/soft_basis_set.F @@ -14,7 +14,6 @@ MODULE soft_basis_set USE basis_set_types, ONLY: get_gto_basis_set,& gto_basis_set_type,& init_cphi_and_sphi - USE f77_blas USE kinds, ONLY: default_string_length,& dp USE memory_utilities, ONLY: reallocate diff --git a/src/splines_methods.F b/src/splines_methods.F index b11383bb94..40e8d3943c 100644 --- a/src/splines_methods.F +++ b/src/splines_methods.F @@ -11,7 +11,7 @@ ! ***************************************************************************** MODULE splines_methods - USE f77_blas + USE kinds, ONLY: dp,& dp_size USE splines_types, ONLY: spline_data_p_type,& diff --git a/src/splines_types.F b/src/splines_types.F index 93aecc587f..5df4ed5734 100644 --- a/src/splines_types.F +++ b/src/splines_types.F @@ -11,7 +11,7 @@ ! ***************************************************************************** MODULE splines_types - USE f77_blas + USE kinds, ONLY: dp USE timings, ONLY: timeset,& timestop diff --git a/src/spme.F b/src/spme.F index 14517585c6..5f7448899e 100644 --- a/src/spme.F +++ b/src/spme.F @@ -24,7 +24,6 @@ MODULE spme ewald_environment_type USE ewald_pw_types, ONLY: ewald_pw_get,& ewald_pw_type - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: fourpi USE particle_types, ONLY: particle_type diff --git a/src/start/cp2k.F b/src/start/cp2k.F index 33e985ea3f..37ce9ff106 100644 --- a/src/start/cp2k.F +++ b/src/start/cp2k.F @@ -45,7 +45,6 @@ PROGRAM cp2k USE cp2k_runs, ONLY: run_input,& write_cp2k_html_manual,& write_xml_file - USE f77_blas USE f77_interface, ONLY: check_input,& default_para_env,& finalize_cp2k,& diff --git a/src/start/cp2k_runs.F b/src/start/cp2k_runs.F index d94e7c9634..9e5c8a6a74 100644 --- a/src/start/cp2k_runs.F +++ b/src/start/cp2k_runs.F @@ -45,7 +45,6 @@ MODULE cp2k_runs cp2k_init,& cp2k_read,& cp2k_setup - USE f77_blas USE f77_interface, ONLY: create_force_env,& destroy_force_env,& f77_default_para_env => default_para_env,& diff --git a/src/start/input_cp2k.F b/src/start/input_cp2k.F index ef4fb850d1..0ffd8c1e99 100644 --- a/src/start/input_cp2k.F +++ b/src/start/input_cp2k.F @@ -21,7 +21,6 @@ MODULE input_cp2k low_print_level,& medium_print_level,& silent_print_level - USE f77_blas USE input_constants, ONLY: & do_diag_syevd, do_diag_syevx, do_mat_random, do_mat_read, & do_pwgrid_ns_fullspace, do_pwgrid_ns_halfspace, do_pwgrid_spherical, & diff --git a/src/start/input_cp2k_motion.F b/src/start/input_cp2k_motion.F index 095506e680..fb82c951a8 100644 --- a/src/start/input_cp2k_motion.F +++ b/src/start/input_cp2k_motion.F @@ -18,7 +18,6 @@ MODULE input_cp2k_motion low_print_level,& medium_print_level USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: & default_bfgs_method_id, default_cell_direct_id, & default_cell_geo_opt_id, default_cell_md_id, default_cg_method_id, & diff --git a/src/statistical_methods.F b/src/statistical_methods.F index 87f14d9af3..a97629355e 100644 --- a/src/statistical_methods.F +++ b/src/statistical_methods.F @@ -13,7 +13,6 @@ ! ***************************************************************************** MODULE statistical_methods USE erf_fn, ONLY: erf - USE f77_blas USE global_types, ONLY: global_environment_type USE kinds, ONLY: dp USE parallel_rng_types, ONLY: next_random_number diff --git a/src/subsys/_el_typename__list_types.template b/src/subsys/_el_typename__list_types.template index d28d34727a..e1c1754940 100644 --- a/src/subsys/_el_typename__list_types.template +++ b/src/subsys/_el_typename__list_types.template @@ -33,7 +33,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE [el_typename]_list_types - USE f77_blas [USE] #include "../common/cp_common_uses.f90" diff --git a/src/subsys/atomic_kind_list_types.F b/src/subsys/atomic_kind_list_types.F index 7753024939..cda08ce9d8 100644 --- a/src/subsys/atomic_kind_list_types.F +++ b/src/subsys/atomic_kind_list_types.F @@ -35,7 +35,6 @@ MODULE atomic_kind_list_types USE atomic_kind_types, ONLY: atomic_kind_type,& deallocate_atomic_kind_set - USE f77_blas #include "../common/cp_common_uses.f90" IMPLICIT NONE diff --git a/src/subsys/atomic_kind_types.F b/src/subsys/atomic_kind_types.F index 106e9c3b63..b37637d89e 100644 --- a/src/subsys/atomic_kind_types.F +++ b/src/subsys/atomic_kind_types.F @@ -24,7 +24,6 @@ MODULE atomic_kind_types USE external_potential_types, ONLY: deallocate_potential,& fist_potential_type,& get_potential - USE f77_blas USE kinds, ONLY: default_string_length,& dp USE periodic_table, ONLY: get_ptable_info diff --git a/src/subsys/atprop_types.F b/src/subsys/atprop_types.F index abe615f2ec..446b1c9581 100644 --- a/src/subsys/atprop_types.F +++ b/src/subsys/atprop_types.F @@ -10,7 +10,7 @@ !> \author JHU ! ***************************************************************************** MODULE atprop_types - USE f77_blas + USE kinds, ONLY: dp #include "../common/cp_common_uses.f90" diff --git a/src/subsys/cell_types.F b/src/subsys/cell_types.F index 95b8b00fa8..2095ce2cca 100644 --- a/src/subsys/cell_types.F +++ b/src/subsys/cell_types.F @@ -13,7 +13,6 @@ MODULE cell_types USE cp_units, ONLY: cp_unit_to_cp2k,& cp_units_rad - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: degree,& sqrt3 diff --git a/src/subsys/colvar_types.F b/src/subsys/colvar_types.F index f819759506..a6f517bc19 100644 --- a/src/subsys/colvar_types.F +++ b/src/subsys/colvar_types.F @@ -11,7 +11,7 @@ !> \author Teodoro Laino ! ***************************************************************************** MODULE colvar_types - USE f77_blas + USE input_section_types, ONLY: section_vals_type USE kinds, ONLY: default_path_length,& default_string_length,& diff --git a/src/subsys/cp_subsys_types.F b/src/subsys/cp_subsys_types.F index 65349805fa..deb364aba3 100644 --- a/src/subsys/cp_subsys_types.F +++ b/src/subsys/cp_subsys_types.F @@ -34,7 +34,6 @@ MODULE cp_subsys_types USE distribution_1d_types, ONLY: distribution_1d_release,& distribution_1d_retain,& distribution_1d_type - USE f77_blas USE kinds, ONLY: dp USE mol_kind_new_list_types, ONLY: mol_kind_new_list_release,& mol_kind_new_list_retain,& diff --git a/src/subsys/external_potential_types.F b/src/subsys/external_potential_types.F index 21621d5d4f..fefccf4d93 100644 --- a/src/subsys/external_potential_types.F +++ b/src/subsys/external_potential_types.F @@ -26,7 +26,6 @@ MODULE external_potential_types USE cp_parser_types, ONLY: cp_parser_type,& parser_create,& parser_release - USE f77_blas USE input_section_types, ONLY: section_vals_get,& section_vals_list_get,& section_vals_type,& diff --git a/src/subsys/force_field_kind_types.F b/src/subsys/force_field_kind_types.F index 521cbb8ce4..bb6d4c8838 100644 --- a/src/subsys/force_field_kind_types.F +++ b/src/subsys/force_field_kind_types.F @@ -10,7 +10,7 @@ !> \author Ole Schuett ! ***************************************************************************** MODULE force_field_kind_types - USE f77_blas + USE kinds, ONLY: dp #include "../common/cp_common_uses.f90" diff --git a/src/subsys/mol_kind_new_list_types.F b/src/subsys/mol_kind_new_list_types.F index 654af73cc5..faea533f2a 100644 --- a/src/subsys/mol_kind_new_list_types.F +++ b/src/subsys/mol_kind_new_list_types.F @@ -33,7 +33,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE mol_kind_new_list_types - USE f77_blas USE molecule_kind_types, ONLY: deallocate_molecule_kind_set,& molecule_kind_type #include "../common/cp_common_uses.f90" diff --git a/src/subsys/mol_new_list_types.F b/src/subsys/mol_new_list_types.F index fb97157680..ceae260c30 100644 --- a/src/subsys/mol_new_list_types.F +++ b/src/subsys/mol_new_list_types.F @@ -33,7 +33,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE mol_new_list_types - USE f77_blas USE molecule_types_new, ONLY: deallocate_molecule_set,& molecule_type #include "../common/cp_common_uses.f90" diff --git a/src/subsys/molecule_kind_types.F b/src/subsys/molecule_kind_types.F index df4051e465..0c3e816b0d 100644 --- a/src/subsys/molecule_kind_types.F +++ b/src/subsys/molecule_kind_types.F @@ -30,7 +30,6 @@ MODULE molecule_kind_types xyz_diag_colvar_id, xyz_outerdiag_colvar_id USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE force_field_kind_types, ONLY: & bend_kind_type, bond_kind_type, impr_kind_dealloc_ref, impr_kind_type, & opbend_kind_type, torsion_kind_dealloc_ref, torsion_kind_type, & diff --git a/src/subsys/molecule_types_new.F b/src/subsys/molecule_types_new.F index 71a8343420..b3c86fc6f8 100644 --- a/src/subsys/molecule_types_new.F +++ b/src/subsys/molecule_types_new.F @@ -16,7 +16,6 @@ MODULE molecule_types_new USE colvar_types, ONLY: colvar_counters,& colvar_release,& colvar_type - USE f77_blas USE kinds, ONLY: dp,& int_size USE molecule_kind_types, ONLY: colvar_constraint_type,& diff --git a/src/subsys/multipole_types.F b/src/subsys/multipole_types.F index 52546cc530..01cea42c2c 100644 --- a/src/subsys/multipole_types.F +++ b/src/subsys/multipole_types.F @@ -11,7 +11,6 @@ MODULE multipole_types USE atomic_kind_types, ONLY: get_atomic_kind USE external_potential_types, ONLY: fist_potential_type,& get_potential - USE f77_blas USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& section_vals_type,& diff --git a/src/subsys/particle_list_types.F b/src/subsys/particle_list_types.F index 76bbc2e9ee..f67e001427 100644 --- a/src/subsys/particle_list_types.F +++ b/src/subsys/particle_list_types.F @@ -33,7 +33,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE particle_list_types - USE f77_blas USE particle_types, ONLY: deallocate_particle_set,& particle_type #include "../common/cp_common_uses.f90" diff --git a/src/subsys/particle_types.F b/src/subsys/particle_types.F index 1928d7fd00..4831f08587 100644 --- a/src/subsys/particle_types.F +++ b/src/subsys/particle_types.F @@ -16,7 +16,6 @@ ! ***************************************************************************** MODULE particle_types USE atomic_kind_types, ONLY: atomic_kind_type - USE f77_blas USE kinds, ONLY: dp USE message_passing, ONLY: mp_sum USE termination, ONLY: stop_program diff --git a/src/subsys/shell_potential_types.F b/src/subsys/shell_potential_types.F index 4944f62db7..73f135f287 100644 --- a/src/subsys/shell_potential_types.F +++ b/src/subsys/shell_potential_types.F @@ -8,7 +8,7 @@ ! ***************************************************************************** MODULE shell_potential_types - USE f77_blas + USE kinds, ONLY: default_string_length,& dp #include "../common/cp_common_uses.f90" diff --git a/src/subsys/virial_types.F b/src/subsys/virial_types.F index 64d955d243..468e7ac55b 100644 --- a/src/subsys/virial_types.F +++ b/src/subsys/virial_types.F @@ -9,7 +9,7 @@ ! ***************************************************************************** MODULE virial_types - USE f77_blas + USE kinds, ONLY: dp #include "../common/cp_common_uses.f90" diff --git a/src/surface_dipole.F b/src/surface_dipole.F index 30a4847753..9921b0fa9d 100644 --- a/src/surface_dipole.F +++ b/src/surface_dipole.F @@ -8,7 +8,6 @@ MODULE surface_dipole USE cell_types, ONLY: cell_type USE cp_control_types, ONLY: dft_control_type - USE f77_blas USE kahan_sum, ONLY: accurate_sum USE kinds, ONLY: dp USE mathconstants, ONLY: pi diff --git a/src/taper_types.F b/src/taper_types.F index e12177f3e4..b7ed7d8a0b 100644 --- a/src/taper_types.F +++ b/src/taper_types.F @@ -8,7 +8,7 @@ !> \author Teodoro Laino [tlaino] - 10.2008 University of Zurich ! ***************************************************************************** MODULE taper_types - USE f77_blas + USE kinds, ONLY: dp #include "./common/cp_common_uses.f90" diff --git a/src/task_list_methods.F b/src/task_list_methods.F index a7f8919713..5338d5c68a 100644 --- a/src/task_list_methods.F +++ b/src/task_list_methods.F @@ -26,7 +26,6 @@ MODULE task_list_methods cube_info_type,& return_cube,& return_cube_nonortho - USE f77_blas USE gaussian_gridlevels, ONLY: gaussian_gridlevel,& gridlevel_info_type USE input_constants, ONLY: use_aux_fit_basis_set,& diff --git a/src/task_list_types.F b/src/task_list_types.F index 389bc8be2f..2051d80502 100644 --- a/src/task_list_types.F +++ b/src/task_list_types.F @@ -10,7 +10,7 @@ !> \author Joost VandeVondele ! ***************************************************************************** MODULE task_list_types - USE f77_blas + USE kinds, ONLY: dp,& int_8 #include "./common/cp_common_uses.f90" diff --git a/src/thermostat_mapping.F b/src/thermostat_mapping.F index beb24a9811..0fdf72e934 100644 --- a/src/thermostat_mapping.F +++ b/src/thermostat_mapping.F @@ -18,7 +18,6 @@ MODULE thermostat_mapping USE cp_para_types, ONLY: cp_para_env_type USE distribution_1d_types, ONLY: distribution_1d_type USE extended_system_types, ONLY: map_info_type - USE f77_blas USE input_constants, ONLY: do_region_defined,& do_region_global,& do_region_massive,& diff --git a/src/topology.F b/src/topology.F index b6c5dddfb0..8ccbe9a4d9 100644 --- a/src/topology.F +++ b/src/topology.F @@ -22,7 +22,6 @@ MODULE topology cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type USE exclusion_types, ONLY: exclusion_type - USE f77_blas USE input_constants, ONLY: & do_conn_amb7, do_conn_g87, do_conn_g96, do_conn_generate, & do_conn_mol_set, do_conn_off, do_conn_psf, do_conn_psf_u, & diff --git a/src/topology_amber.F b/src/topology_amber.F index bbcf649aef..cbb289cc61 100644 --- a/src/topology_amber.F +++ b/src/topology_amber.F @@ -21,7 +21,6 @@ MODULE topology_amber parser_create,& parser_release USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE force_field_types, ONLY: amber_info_type USE input_cp2k_restarts_util, ONLY: section_velocity_val_set USE input_section_types, ONLY: section_vals_get_subs_vals,& diff --git a/src/topology_cif.F b/src/topology_cif.F index d40e4b1115..6fcf53a3e5 100644 --- a/src/topology_cif.F +++ b/src/topology_cif.F @@ -27,7 +27,6 @@ MODULE topology_cif parser_create,& parser_release USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE fparser, ONLY: evalf,& finalizef,& initf,& diff --git a/src/topology_connectivity_util.F b/src/topology_connectivity_util.F index 20da8e4275..aad56e33df 100644 --- a/src/topology_connectivity_util.F +++ b/src/topology_connectivity_util.F @@ -12,7 +12,6 @@ MODULE topology_connectivity_util USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE force_field_kind_types, ONLY: do_ff_charmm,& do_ff_harmonic USE input_constants, ONLY: do_conn_g87,& diff --git a/src/topology_constraint_util.F b/src/topology_constraint_util.F index f5a40d7704..dfd140d2de 100644 --- a/src/topology_constraint_util.F +++ b/src/topology_constraint_util.F @@ -27,7 +27,6 @@ MODULE topology_constraint_util USE colvar_utils, ONLY: post_process_colvar USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE input_constants, ONLY: do_constr_atomic,& do_constr_molec USE input_section_types, ONLY: section_vals_get,& diff --git a/src/topology_coordinate_util.F b/src/topology_coordinate_util.F index f667b3c961..7265879f1b 100644 --- a/src/topology_coordinate_util.F +++ b/src/topology_coordinate_util.F @@ -19,7 +19,6 @@ MODULE topology_coordinate_util fist_potential_type,& get_potential,& set_potential - USE f77_blas USE input_constants, ONLY: do_fist,& do_skip_12,& do_skip_13,& diff --git a/src/topology_cp2k.F b/src/topology_cp2k.F index 414d0d10ce..643b2ae438 100644 --- a/src/topology_cp2k.F +++ b/src/topology_cp2k.F @@ -16,7 +16,6 @@ MODULE topology_cp2k parser_create,& parser_release USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_section_types, ONLY: section_get_ival,& section_get_rval,& section_vals_get,& diff --git a/src/topology_generate_util.F b/src/topology_generate_util.F index 535bdf205c..ebc7f266db 100644 --- a/src/topology_generate_util.F +++ b/src/topology_generate_util.F @@ -17,7 +17,6 @@ MODULE topology_generate_util cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE fist_neighbor_list_types, ONLY: fist_neighbor_deallocate,& fist_neighbor_type USE fist_neighbor_lists, ONLY: build_fist_neighbor_lists diff --git a/src/topology_gromos.F b/src/topology_gromos.F index e1137a2464..5f79397ee6 100644 --- a/src/topology_gromos.F +++ b/src/topology_gromos.F @@ -15,7 +15,6 @@ MODULE topology_gromos parser_create,& parser_release USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_cp2k_restarts_util, ONLY: section_velocity_val_set USE input_section_types, ONLY: section_get_rval,& section_vals_get_subs_vals,& diff --git a/src/topology_input.F b/src/topology_input.F index 1519bf4281..24381e0c00 100644 --- a/src/topology_input.F +++ b/src/topology_input.F @@ -12,7 +12,6 @@ MODULE topology_input USE colvar_types, ONLY: colvar_clone,& colvar_p_type - USE f77_blas USE input_constants, ONLY: do_conn_generate,& do_conn_mol_set,& do_conn_off,& diff --git a/src/topology_multiple_unit_cell.F b/src/topology_multiple_unit_cell.F index 1837e0fcd3..f6007a044f 100644 --- a/src/topology_multiple_unit_cell.F +++ b/src/topology_multiple_unit_cell.F @@ -9,7 +9,6 @@ ! ***************************************************************************** MODULE topology_multiple_unit_cell USE cell_types, ONLY: cell_type - USE f77_blas USE input_section_types, ONLY: section_vals_get,& section_vals_get_subs_vals,& section_vals_remove_values,& diff --git a/src/topology_pdb.F b/src/topology_pdb.F index 4c5087f08d..16ea8418a3 100644 --- a/src/topology_pdb.F +++ b/src/topology_pdb.F @@ -59,7 +59,6 @@ MODULE topology_pdb parser_create,& parser_release USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_constants, ONLY: do_conn_user USE input_section_types, ONLY: section_get_rval,& section_vals_get_subs_vals,& diff --git a/src/topology_psf.F b/src/topology_psf.F index 34450c472d..b3dc67adc5 100644 --- a/src/topology_psf.F +++ b/src/topology_psf.F @@ -21,7 +21,6 @@ MODULE topology_psf USE cp_parser_types, ONLY: cp_parser_type,& parser_create,& parser_release - USE f77_blas USE force_fields_input, ONLY: read_chrg_section USE input_constants, ONLY: do_conn_psf,& do_conn_psf_u diff --git a/src/topology_types.F b/src/topology_types.F index 09fc5935cc..85c33f0748 100644 --- a/src/topology_types.F +++ b/src/topology_types.F @@ -18,7 +18,6 @@ MODULE topology_types cell_type USE colvar_types, ONLY: colvar_p_type,& colvar_release - USE f77_blas USE input_constants, ONLY: do_bondparm_covalent,& do_conn_generate,& do_constr_none,& diff --git a/src/topology_util.F b/src/topology_util.F index 80a4af152a..531c0fe4cd 100644 --- a/src/topology_util.F +++ b/src/topology_util.F @@ -11,7 +11,6 @@ MODULE topology_util USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE graphcon, ONLY: graph_type,& hash_molecule,& reorder_graph,& diff --git a/src/topology_xtl.F b/src/topology_xtl.F index 2e4e9e432c..bc3e6e4fbd 100644 --- a/src/topology_xtl.F +++ b/src/topology_xtl.F @@ -26,7 +26,6 @@ MODULE topology_xtl parser_create,& parser_release USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_section_types, ONLY: section_get_rval,& section_vals_type USE kinds, ONLY: default_string_length,& diff --git a/src/topology_xyz.F b/src/topology_xyz.F index a822f070ff..4dd6277f74 100644 --- a/src/topology_xyz.F +++ b/src/topology_xyz.F @@ -13,7 +13,6 @@ MODULE topology_xyz parser_create,& parser_release USE cp_units, ONLY: cp_unit_to_cp2k - USE f77_blas USE input_section_types, ONLY: section_vals_type USE kinds, ONLY: default_string_length,& dp diff --git a/src/virial_methods.F b/src/virial_methods.F index 5bf620979b..318f7fb1ca 100644 --- a/src/virial_methods.F +++ b/src/virial_methods.F @@ -16,7 +16,6 @@ MODULE virial_methods USE cp_subsys_types, ONLY: cp_subsys_get,& cp_subsys_type USE distribution_1d_types, ONLY: distribution_1d_type - USE f77_blas USE kinds, ONLY: dp USE message_passing, ONLY: mp_sum USE particle_list_types, ONLY: particle_list_type diff --git a/src/wannier_states.F b/src/wannier_states.F index 700fcb10ed..0c85851593 100644 --- a/src/wannier_states.F +++ b/src/wannier_states.F @@ -24,7 +24,6 @@ MODULE wannier_states cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type USE cp_units, ONLY: cp_unit_from_cp2k - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type,& section_vals_val_get diff --git a/src/whittaker.F b/src/whittaker.F index f17b1e59d2..d208278a46 100644 --- a/src/whittaker.F +++ b/src/whittaker.F @@ -9,7 +9,7 @@ ! ***************************************************************************** MODULE whittaker - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: dfac,& fac,& diff --git a/src/xas_control.F b/src/xas_control.F index 6c4aa1b0fe..657ab8ebb8 100644 --- a/src/xas_control.F +++ b/src/xas_control.F @@ -11,7 +11,6 @@ MODULE xas_control USE cp_output_handling, ONLY: cp_print_key_finished_output,& cp_print_key_unit_nr - USE f77_blas USE input_constants, ONLY: xas_1s_type,& xas_dscf,& xas_tp_fh,& diff --git a/src/xas_env_types.F b/src/xas_env_types.F index d4fdfdc0bf..fbcc40606b 100644 --- a/src/xas_env_types.F +++ b/src/xas_env_types.F @@ -22,7 +22,6 @@ MODULE xas_env_types USE cp_fm_types, ONLY: cp_fm_p_type,& cp_fm_release,& cp_fm_type - USE f77_blas USE kinds, ONLY: dp USE qs_density_mixing_types, ONLY: mixing_storage_release,& mixing_storage_type diff --git a/src/xas_restart.F b/src/xas_restart.F index 0587c0085f..2c3771d81b 100644 --- a/src/xas_restart.F +++ b/src/xas_restart.F @@ -34,7 +34,6 @@ MODULE xas_restart cp_print_key_should_output,& cp_print_key_unit_nr USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_section_types, ONLY: section_vals_type USE kinds, ONLY: default_path_length,& default_string_length,& diff --git a/src/xas_tp_scf.F b/src/xas_tp_scf.F index bfbd696d2d..4cab296bab 100644 --- a/src/xas_tp_scf.F +++ b/src/xas_tp_scf.F @@ -34,7 +34,6 @@ MODULE xas_tp_scf cp_print_key_unit_nr,& cp_rm_iter_level USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: ot_precond_full_kinetic,& ot_precond_solver_default,& xas_dscf,& diff --git a/src/xc/cp_linked_list_xc_deriv.F b/src/xc/cp_linked_list_xc_deriv.F index 67ba6033fd..92c7092fed 100644 --- a/src/xc/cp_linked_list_xc_deriv.F +++ b/src/xc/cp_linked_list_xc_deriv.F @@ -44,7 +44,6 @@ !> \author Fawzi Mohamed ! ***************************************************************************** MODULE cp_linked_list_xc_deriv - USE f77_blas USE kinds, ONLY: dp USE xc_derivative_types, ONLY: xc_derivative_p_type,& xc_derivative_type diff --git a/src/xc/xc_atom.F b/src/xc/xc_atom.F index 98fdd1d439..54183fd0db 100644 --- a/src/xc/xc_atom.F +++ b/src/xc/xc_atom.F @@ -8,7 +8,6 @@ MODULE xc_atom USE cp_linked_list_xc_deriv, ONLY: cp_sll_xc_deriv_next,& cp_sll_xc_deriv_type - USE f77_blas USE input_section_types, ONLY: section_vals_get_subs_vals,& section_vals_type USE kinds, ONLY: dp diff --git a/src/xc/xc_b97.F b/src/xc/xc_b97.F index fbc4bb77e1..6463d3b7ce 100644 --- a/src/xc/xc_b97.F +++ b/src/xc/xc_b97.F @@ -23,7 +23,6 @@ MODULE xc_b97 USE bibliography, ONLY: Becke1997,& Grimme2006,& cite_reference - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_cs1.F b/src/xc/xc_cs1.F index c8868dcdc3..c02fb8396b 100644 --- a/src/xc/xc_cs1.F +++ b/src/xc/xc_cs1.F @@ -12,7 +12,7 @@ ! ***************************************************************************** MODULE xc_cs1 - USE f77_blas + USE kinds, ONLY: dp USE termination, ONLY: stop_program USE timings, ONLY: timeset,& diff --git a/src/xc/xc_derivative_desc.F b/src/xc/xc_derivative_desc.F index 4d0319a1af..105436f523 100644 --- a/src/xc/xc_derivative_desc.F +++ b/src/xc/xc_derivative_desc.F @@ -24,9 +24,9 @@ !> \author thomas & fawzi ! ***************************************************************************** MODULE xc_derivative_desc - USE f77_blas -#include "../common/cp_common_uses.f90" + +#include "../common/cp_common_uses.f90" IMPLICIT NONE PRIVATE diff --git a/src/xc/xc_derivative_set_types.F b/src/xc/xc_derivative_set_types.F index d5c698d089..1aa1746e52 100644 --- a/src/xc/xc_derivative_set_types.F +++ b/src/xc/xc_derivative_set_types.F @@ -14,7 +14,6 @@ MODULE xc_derivative_set_types cp_sll_xc_deriv_insert_ordered,& cp_sll_xc_deriv_next,& cp_sll_xc_deriv_type - USE f77_blas USE kinds, ONLY: dp USE message_passing, ONLY: MPI_COMM_SELF USE pw_grid_types, ONLY: pw_grid_type diff --git a/src/xc/xc_derivative_types.F b/src/xc/xc_derivative_types.F index 4edd8bc43c..6a2533a910 100644 --- a/src/xc/xc_derivative_types.F +++ b/src/xc/xc_derivative_types.F @@ -8,7 +8,7 @@ !> their derivatives. ! ***************************************************************************** MODULE xc_derivative_types - USE f77_blas + USE kinds, ONLY: dp USE pw_pool_types, ONLY: pw_pool_give_back_cr3d,& pw_pool_type diff --git a/src/xc/xc_derivatives.F b/src/xc/xc_derivatives.F index 0a33f88e98..467e8b5b4b 100644 --- a/src/xc/xc_derivatives.F +++ b/src/xc/xc_derivatives.F @@ -5,7 +5,7 @@ ! ***************************************************************************** MODULE xc_derivatives - USE f77_blas + USE input_section_types, ONLY: section_vals_get_subs_vals2,& section_vals_type,& section_vals_val_get diff --git a/src/xc/xc_exchange_gga.F b/src/xc/xc_exchange_gga.F index 3870bb5067..1528c3fed1 100644 --- a/src/xc/xc_exchange_gga.F +++ b/src/xc/xc_exchange_gga.F @@ -14,7 +14,6 @@ MODULE xc_exchange_gga USE cp_array_r_utils, ONLY: cp_3d_r_p_type - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: pi USE termination, ONLY: stop_program diff --git a/src/xc/xc_functionals_utilities.F b/src/xc/xc_functionals_utilities.F index 8c5112cc40..7e7347d170 100644 --- a/src/xc/xc_functionals_utilities.F +++ b/src/xc/xc_functionals_utilities.F @@ -12,7 +12,7 @@ ! ***************************************************************************** MODULE xc_functionals_utilities - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: pi USE termination, ONLY: stop_program diff --git a/src/xc/xc_hcth.F b/src/xc/xc_hcth.F index 419f3a3186..5b51c199d8 100644 --- a/src/xc/xc_hcth.F +++ b/src/xc/xc_hcth.F @@ -9,7 +9,7 @@ !> \author fawzi ! ***************************************************************************** MODULE xc_hcth - USE f77_blas + USE kinds, ONLY: dp USE mathconstants, ONLY: pi USE xc_derivative_set_types, ONLY: xc_derivative_set_type,& diff --git a/src/xc/xc_ke_gga.F b/src/xc/xc_ke_gga.F index 056a5a0491..72b5c4c8f3 100644 --- a/src/xc/xc_ke_gga.F +++ b/src/xc/xc_ke_gga.F @@ -14,7 +14,6 @@ MODULE xc_ke_gga USE cp_array_r_utils, ONLY: cp_3d_r_p_type - USE f77_blas USE kinds, ONLY: dp USE mathconstants, ONLY: pi USE termination, ONLY: stop_program diff --git a/src/xc/xc_libxc.F b/src/xc/xc_libxc.F index 2fedb5a874..9231aaea42 100644 --- a/src/xc/xc_libxc.F +++ b/src/xc/xc_libxc.F @@ -48,7 +48,7 @@ MODULE xc_libxc #if defined (__LIBXC2) USE bibliography, ONLY: Marques2012,& cite_reference - USE f77_blas + USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: default_string_length,& diff --git a/src/xc/xc_lyp.F b/src/xc/xc_lyp.F index e5f91fb98b..bbc229c392 100644 --- a/src/xc/xc_lyp.F +++ b/src/xc/xc_lyp.F @@ -12,7 +12,6 @@ MODULE xc_lyp USE bibliography, ONLY: Lee1988,& cite_reference - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_lyp_adiabatic.F b/src/xc/xc_lyp_adiabatic.F index dd16be9c7d..ab32bb979f 100644 --- a/src/xc/xc_lyp_adiabatic.F +++ b/src/xc/xc_lyp_adiabatic.F @@ -17,7 +17,6 @@ MODULE xc_lyp_adiabatic USE bibliography, ONLY: Lee1988,& cite_reference - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_optx.F b/src/xc/xc_optx.F index 4b8f0fb925..04fa3ed086 100644 --- a/src/xc/xc_optx.F +++ b/src/xc/xc_optx.F @@ -11,7 +11,6 @@ ! ***************************************************************************** MODULE xc_optx USE cp_array_r_utils, ONLY: cp_3d_r_p_type - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_pade.F b/src/xc/xc_pade.F index 6a4b5340b2..888dc87bed 100644 --- a/src/xc/xc_pade.F +++ b/src/xc/xc_pade.F @@ -17,7 +17,6 @@ MODULE xc_pade USE bibliography, ONLY: Goedecker1996,& cite_reference - USE f77_blas USE kinds, ONLY: dp USE termination, ONLY: stop_program USE xc_derivative_set_types, ONLY: xc_derivative_set_type,& diff --git a/src/xc/xc_pbe.F b/src/xc/xc_pbe.F index bf77a5c96f..81875b75da 100644 --- a/src/xc/xc_pbe.F +++ b/src/xc/xc_pbe.F @@ -21,7 +21,6 @@ MODULE xc_pbe Perdew2008,& Zhang1998,& cite_reference - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_perdew86.F b/src/xc/xc_perdew86.F index d21cf6f2ed..2b88627bbb 100644 --- a/src/xc/xc_perdew86.F +++ b/src/xc/xc_perdew86.F @@ -12,7 +12,7 @@ ! ***************************************************************************** MODULE xc_perdew86 - USE f77_blas + USE input_section_types, ONLY: section_vals_type USE kinds, ONLY: dp USE timings, ONLY: timeset,& diff --git a/src/xc/xc_perdew_wang.F b/src/xc/xc_perdew_wang.F index 488fb94a03..11c84c3f89 100644 --- a/src/xc/xc_perdew_wang.F +++ b/src/xc/xc_perdew_wang.F @@ -13,7 +13,7 @@ !> \see functionals_utilities ! ***************************************************************************** MODULE xc_perdew_wang - USE f77_blas + USE kinds, ONLY: dp USE termination, ONLY: stop_program USE timings, ONLY: timeset,& diff --git a/src/xc/xc_perdew_zunger.F b/src/xc/xc_perdew_zunger.F index bf27e383e6..c8af040a53 100644 --- a/src/xc/xc_perdew_zunger.F +++ b/src/xc/xc_perdew_zunger.F @@ -16,7 +16,6 @@ MODULE xc_perdew_zunger USE bibliography, ONLY: Ortiz1994,& Perdew1981,& cite_reference - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_rho_cflags_types.F b/src/xc/xc_rho_cflags_types.F index ab4e711efa..89593e4f50 100644 --- a/src/xc/xc_rho_cflags_types.F +++ b/src/xc/xc_rho_cflags_types.F @@ -10,9 +10,9 @@ !> \author fawzi ! ***************************************************************************** MODULE xc_rho_cflags_types - USE f77_blas -#include "../common/cp_common_uses.f90" + +#include "../common/cp_common_uses.f90" IMPLICIT NONE PRIVATE LOGICAL, PRIVATE, PARAMETER :: debug_this_module=.FALSE. diff --git a/src/xc/xc_rho_set_types.F b/src/xc/xc_rho_set_types.F index d430f5d11a..eff7dc7f42 100644 --- a/src/xc/xc_rho_set_types.F +++ b/src/xc/xc_rho_set_types.F @@ -11,7 +11,6 @@ ! ***************************************************************************** MODULE xc_rho_set_types USE cp_array_r_utils, ONLY: cp_3d_r_p_type - USE f77_blas USE kinds, ONLY: dp USE pw_methods, ONLY: pw_copy,& pw_derive,& diff --git a/src/xc/xc_tfw.F b/src/xc/xc_tfw.F index 5d7b8eda9c..208780a61d 100644 --- a/src/xc/xc_tfw.F +++ b/src/xc/xc_tfw.F @@ -13,7 +13,6 @@ ! ***************************************************************************** MODULE xc_tfw USE cp_array_r_utils, ONLY: cp_3d_r_p_type - USE f77_blas USE kinds, ONLY: dp USE timings, ONLY: timeset,& timestop diff --git a/src/xc/xc_thomas_fermi.F b/src/xc/xc_thomas_fermi.F index a502d9c3e2..1329d096cd 100644 --- a/src/xc/xc_thomas_fermi.F +++ b/src/xc/xc_thomas_fermi.F @@ -15,7 +15,6 @@ ! ***************************************************************************** MODULE xc_thomas_fermi USE cp_array_r_utils, ONLY: cp_3d_r_p_type - USE f77_blas USE kinds, ONLY: dp USE timings, ONLY: timeset,& timestop diff --git a/src/xc/xc_tpss.F b/src/xc/xc_tpss.F index 9d6bb9bfcb..738bc51027 100644 --- a/src/xc/xc_tpss.F +++ b/src/xc/xc_tpss.F @@ -15,7 +15,6 @@ MODULE xc_tpss USE bibliography, ONLY: Tao2003,& cite_reference - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_vwn.F b/src/xc/xc_vwn.F index b922fe369e..2cbb0b672c 100644 --- a/src/xc/xc_vwn.F +++ b/src/xc/xc_vwn.F @@ -19,7 +19,6 @@ MODULE xc_vwn USE bibliography, ONLY: Vosko1980,& cite_reference - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_xalpha.F b/src/xc/xc_xalpha.F index 881bca2368..26abb4f890 100644 --- a/src/xc/xc_xalpha.F +++ b/src/xc/xc_xalpha.F @@ -16,7 +16,6 @@ ! ***************************************************************************** MODULE xc_xalpha USE cp_array_r_utils, ONLY: cp_3d_r_p_type - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_xbecke88.F b/src/xc/xc_xbecke88.F index 602ec00bce..2308969caf 100644 --- a/src/xc/xc_xbecke88.F +++ b/src/xc/xc_xbecke88.F @@ -13,7 +13,6 @@ MODULE xc_xbecke88 USE bibliography, ONLY: Becke1988,& cite_reference USE cp_array_r_utils, ONLY: cp_3d_r_p_type - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_xbecke88_long_range.F b/src/xc/xc_xbecke88_long_range.F index 4311181a70..f9aa9082c2 100644 --- a/src/xc/xc_xbecke88_long_range.F +++ b/src/xc/xc_xbecke88_long_range.F @@ -14,7 +14,6 @@ MODULE xc_xbecke88_long_range cite_reference USE cp_array_r_utils, ONLY: cp_3d_r_p_type USE erf_fn, ONLY: erf - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_xbecke88_lr_adiabatic.F b/src/xc/xc_xbecke88_lr_adiabatic.F index 597d0ffac8..7d4f80ad9c 100644 --- a/src/xc/xc_xbecke88_lr_adiabatic.F +++ b/src/xc/xc_xbecke88_lr_adiabatic.F @@ -20,7 +20,6 @@ MODULE xc_xbecke88_lr_adiabatic cite_reference USE cp_array_r_utils, ONLY: cp_3d_r_p_type USE erf_fn, ONLY: erf - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_xbecke_roussel.F b/src/xc/xc_xbecke_roussel.F index 4bc2ed2595..2a7ce90096 100644 --- a/src/xc/xc_xbecke_roussel.F +++ b/src/xc/xc_xbecke_roussel.F @@ -17,7 +17,6 @@ MODULE xc_xbecke_roussel USE bibliography, ONLY: BeckeRoussel1989,& Proynov2007,& cite_reference - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_xbeef.F b/src/xc/xc_xbeef.F index 8e45bb8491..f16aa79ab6 100644 --- a/src/xc/xc_xbeef.F +++ b/src/xc/xc_xbeef.F @@ -15,7 +15,6 @@ MODULE xc_xbeef USE bibliography, ONLY: Wellendorff2012,& cite_reference USE cp_array_r_utils, ONLY: cp_3d_r_p_type - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F b/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F index 152a107a3e..9c8d113611 100644 --- a/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F +++ b/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F @@ -25,7 +25,7 @@ ! ***************************************************************************** MODULE xc_xbr_pbe_lda_hole_t_c_lr - USE f77_blas + USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_xlda_hole_t_c_lr.F b/src/xc/xc_xlda_hole_t_c_lr.F index c39af75099..e819ff680e 100644 --- a/src/xc/xc_xlda_hole_t_c_lr.F +++ b/src/xc/xc_xlda_hole_t_c_lr.F @@ -12,7 +12,7 @@ ! ***************************************************************************** MODULE xc_xlda_hole_t_c_lr - USE f77_blas + USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_xpbe_hole_t_c_lr.F b/src/xc/xc_xpbe_hole_t_c_lr.F index 84e30e3246..289f5b11ed 100644 --- a/src/xc/xc_xpbe_hole_t_c_lr.F +++ b/src/xc/xc_xpbe_hole_t_c_lr.F @@ -14,7 +14,6 @@ MODULE xc_xpbe_hole_t_c_lr USE erf_fn, ONLY: erf - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc/xc_xwpbe.F b/src/xc/xc_xwpbe.F index 7c55ea525f..7c0c8d368b 100644 --- a/src/xc/xc_xwpbe.F +++ b/src/xc/xc_xwpbe.F @@ -14,7 +14,6 @@ MODULE xc_xwpbe USE bibliography, ONLY: Heyd2004,& cite_reference USE erf_fn, ONLY: erfc - USE f77_blas USE input_section_types, ONLY: section_vals_type,& section_vals_val_get USE kinds, ONLY: dp diff --git a/src/xc_adiabatic_methods.F b/src/xc_adiabatic_methods.F index 1e4cbebff8..b9a857cadb 100644 --- a/src/xc_adiabatic_methods.F +++ b/src/xc_adiabatic_methods.F @@ -10,7 +10,7 @@ !> \author Manuel Guidon ! ***************************************************************************** MODULE xc_adiabatic_methods - USE f77_blas + USE input_constants, ONLY: do_hfx_potential_coulomb USE kinds, ONLY: dp USE mathconstants, ONLY: oorootpi diff --git a/src/xc_pot_saop.F b/src/xc_pot_saop.F index 7ede3aaf83..f49c2d9fda 100644 --- a/src/xc_pot_saop.F +++ b/src/xc_pot_saop.F @@ -27,7 +27,6 @@ MODULE xc_pot_saop cp_fm_set_submatrix,& cp_fm_type USE cp_para_types, ONLY: cp_para_env_type - USE f77_blas USE input_constants, ONLY: do_method_gapw,& oe_gllb,& oe_lb,& diff --git a/src/xc_write_output.F b/src/xc_write_output.F index 993855ec19..594efd5802 100644 --- a/src/xc_write_output.F +++ b/src/xc_write_output.F @@ -7,7 +7,7 @@ !> \brief Writes information on XC functionals to output ! ***************************************************************************** MODULE xc_write_output - USE f77_blas + USE input_constants, ONLY: xc_none USE input_cp2k_check, ONLY: xc_functionals_expand USE input_section_types, ONLY: section_vals_get_subs_vals,&