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Cleaned gitignore

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This commit is contained in:
Anthony Scemama 2015-09-22 09:36:31 +02:00
parent b7fd9bb101
commit 914e88e366
4 changed files with 5 additions and 61 deletions
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3
.gitignore vendored
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@ -5,4 +5,5 @@ build.ninja
.ninja_deps
bin/
lib/
config/qp_create_ninja.pickle
config/qp_create_ninja.pickle
src/*/.gitignore

33
plugins/Full_CI/.gitignore vendored
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@ -1,33 +0,0 @@
# Automatically created by $QP_ROOT/scripts/module/module_handler.py
.ninja_deps
.ninja_log
AO_Basis
Bitmask
Determinants
Electrons
Ezfio_files
Generators_full
Hartree_Fock
IRPF90_man
IRPF90_temp
Integrals_Bielec
Integrals_Monoelec
MOGuess
MO_Basis
Makefile
Makefile.depend
Nuclei
Perturbation
Properties
Pseudo
Selectors_full
Utils
exc_degree
ezfio_interface.irp.f
full_ci
full_ci_no_skip
irpf90.make
irpf90_entities
tags
target_pt2
var_pt2_ratio

3
plugins/Full_CI/target_pt2.irp.f
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@ -26,6 +26,9 @@ program var_pt2_ratio_run
soft_touch N_det psi_det psi_coef
call diagonalize_CI
ratio = (CI_energy(1) - HF_energy) / (CI_energy(1)+pt2(1) - HF_energy)
if (N_det > 20000) then
exit
endif
enddo
threshold_selectors = 1.d0

27
src/Determinants/.gitignore vendored
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@ -1,27 +0,0 @@
# Automatically created by $QP_ROOT/scripts/module/module_handler.py
.ninja_deps
.ninja_log
AO_Basis
Bitmask
Electrons
Ezfio_files
IRPF90_man
IRPF90_temp
Integrals_Bielec
Integrals_Monoelec
MO_Basis
Makefile
Makefile.depend
Nuclei
Pseudo
Utils
ezfio_interface.irp.f
guess_doublet
guess_singlet
guess_triplet
irpf90.make
irpf90_entities
program_initial_determinants
save_natorb
tags
truncate_wf