Merge pull request #929 from edoapra/flaccid-fraction

new localize tests
nwchemgit · Jan 2, 2024 · 7a74469 · 7a74469
2 parents b9ea432 + 0d6cb21
commit 7a74469
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diff --git a/QA/doqmtests.mpi b/QA/doqmtests.mpi
@@ -346,6 +346,10 @@ let "myexit+=$?"
 let "myexit+=$?"
 ./runtests.mpi.unix procs $np localize-ibo-aa
 let "myexit+=$?"
+./runtests.mpi.unix procs $np localize-ibo-allyl
+let "myexit+=$?"
+./runtests.mpi.unix procs $np localize-pm-allyl
+let "myexit+=$?"
 #
 #--- range-separated functionals tests
 ./runtests.mpi.unix procs $np acr-camb3lyp-cdfit

diff --git a/src/input/memory_input.F b/src/input/memory_input.F
@@ -177,7 +177,7 @@ logical function memory_units(memory_size,
       if (.not. inp_f(user_memory)) goto 1000
       if (.not.inp_a(ctest)) goto 1000
       if (inp_match(nunits, .false., ctest, units, ind)) then
-         memory_size  = int(user_memory)*conv_units(ind)
+         memory_size  = user_memory*dble(conv_units(ind))
          memory_units=.true.
       else
          call errquit('inp_match: units missing ',0,INPUT_ERR)