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Makefile

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This commit is contained in:
Anthony Scemama 2018-12-21 01:27:12 +01:00
parent f28bc742a8
commit d34184d70c
2 changed files with 2 additions and 2 deletions
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2
ocaml/Makefile
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@ -27,7 +27,7 @@ default: $(ALL_EXE) .gitignore
tests: $(ALL_TESTS)
.gitignore: $(MLFILES) $(MLIFILES)
@for i in .gitignore ezfio.ml Qptypes.ml Git.ml qptypes_generator.byte _build $(ALL_EXE) $(ALL_TESTS) \
@for i in .gitignore ezfio.ml element_create_db Qptypes.ml Git.ml *.byte *.native _build $(ALL_EXE) $(ALL_TESTS) \
$(patsubst %.ml,%,$(wildcard test_*.ml)) $(patsubst %.ml,%,$(wildcard qp_*.ml)) \
$(shell grep Input Input_auto_generated.ml | awk '{print $$2 ".ml"}') \
qp_edit.ml qp_edit qp_edit.native Input_auto_generated.ml;\

2
src/scf_utils/roothaan_hall_scf.irp.f
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@ -108,7 +108,7 @@ END_DOC
TOUCH mo_coef level_shift
Delta_Energy_SCF = SCF_energy - energy_SCF_previous
energy_SCF = SCF_energy
if (level_shift-level_shift_save > 50.d0) then
if (level_shift-level_shift_save > 40.d0) then
level_shift = level_shift_save
SOFT_TOUCH level_shift
exit