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Commits on Nov 15, 2022

• fix setup.py for builds in temporary directories

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Commits on Nov 14, 2022

• support FileLog

  bpuchala

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Commits on Aug 7, 2021

• version bump 1.2.1

  bpuchala

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• Add CHANGELOG.md

  bpuchala

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• vaspwrapper prisms_jobs job management fixes

  bpuchala

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Commits on Aug 6, 2021

• write/read structure file instead of POS for vasp setup

  bpuchala

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• vasp setup bug fixes

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• version bump 1.2.0 - requires casm-cpp 1.2.0 - note: breaking changes in JSON formats to improve overall consistency; in structure JSON format 'lattice' -> 'lattice_vectors', atom/mol/global '_dofs…

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• update structure format test data to use 'lattice_vectors'

  bpuchala

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• read properties; allow specifying exact output file; format

  bpuchala

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Commits on Aug 5, 2021

• consistency fixes

  bpuchala

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• casm convert fix and description

  bpuchala

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Commits on Jul 22, 2021

• standardize coord_mode -> coordinate_mode

  bpuchala

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• expect only atom_properties, mol_properties, global_properties from structure JSON

  bpuchala

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Commits on Jul 21, 2021

• casm convert method using ASE to convert to/from casm structure JSON format

  bpuchala

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Commits on Jul 18, 2021

• 1.X consistency fixes

  bpuchala

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Commits on Jun 1, 2021

• version bump 1.0.2

  bpuchala

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• vaspwrapper submit fix

  bpuchala

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Commits on May 28, 2021

• version bump 1.0.1

  bpuchala

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Commits on May 27, 2021

• Merge pull request #1 from prisms-center/1.X_clock_fix

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Commits on May 6, 2021

• clock fix

  bpuchala

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• fix casm.learn example name mismatch

  bpuchala

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• update Project.init to take all options

  bpuchala

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Commits on Apr 27, 2021

• adding casm.info and tests

  bpuchala

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Commits on Mar 26, 2021

• fix write_eci

  bpuchala

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Commits on Mar 23, 2021

• README and setup updates

  bpuchala

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• version and docs updates

  bpuchala

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Commits on Mar 15, 2021

• remove packages out of date or in need of updates for 1.0 compatibility

  bpuchala

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• Merge pull request #8 from seshasaibehara/PropUpdate

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Commits on Mar 11, 2021

• update relaxed_energy -> energy

  seshasaibehara

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Commits on Mar 9, 2021

• changed Cmagmom -> Cmagspin in properties.calc.json

  seshasaibehara

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• changed energy -> relaxed_energy in properties.calc.json

  seshasaibehara

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Commits on Feb 24, 2021

• properties.calc.json update

  seshasaibehara

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Commits on Feb 23, 2021

• remove unnecessary comments

  seshasaibehara

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• updated read structure to read in unsorted basis as well

  seshasaibehara

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