pfloos 9aa5891f60 modifs HF prints

2023-11-08 10:48:54 +01:00

..

obj

major modification for makefiles

2020-09-30 00:10:57 +02:00

core_guess.f90

level shift and proper guess

2022-02-02 15:06:51 +01:00

density_matrix.f90

remove COHSEX and modify phLR in GW routines

2023-07-18 14:59:18 +02:00

density.f90

remove COHSEX and modify phLR in GW routines

2023-07-18 14:59:18 +02:00

dipole_moment.f90

remove COHSEX and modify phLR in GW routines

2023-07-18 14:59:18 +02:00

GHF_search.f90

fix bug in GHF search

2023-11-07 16:11:01 +01:00

GHF_stability.f90

fix bug in GHF search

2023-11-07 16:11:01 +01:00

GHF.f90

GHF search

2023-11-04 15:17:39 +01:00

huckel_guess.f90

level shift and proper guess

2022-02-02 15:06:51 +01:00

Makefile

bug in makefile debug

2020-10-14 16:02:09 +02:00

mix_guess.f90

restructuration QuAcK for restricted and unrestricted branches

2023-10-25 21:38:20 +02:00

mo_guess.f90

HF solution search

2023-11-03 19:48:12 +01:00

MOM_overlap.f90

remove COHSEX and modify phLR in GW routines

2023-07-18 14:59:18 +02:00

print_GHF.f90

modifs HF prints

2023-11-08 10:48:54 +01:00

print_RHF.f90

modifs HF prints

2023-11-08 10:48:54 +01:00

print_ROHF.f90

fix UHF

2023-10-24 14:39:02 +02:00

print_UHF.f90

modifs HF prints

2023-11-08 10:48:54 +01:00

RHF_search.f90

modifs HF prints

2023-11-08 10:48:54 +01:00

RHF_stability.f90

fix bug in GHF search

2023-11-07 16:11:01 +01:00

RHF.f90

RHF search

2023-11-03 15:56:18 +01:00

RMOM.f90

working on GHF

2023-10-26 09:35:48 +02:00

ROHF_fock_matrix.f90

OK with ROHF

2023-09-06 13:16:44 +02:00

ROHF.f90

working on GHF

2023-10-26 09:35:48 +02:00

UHF_search.f90

exp rot in UHF search as well

2023-11-07 16:47:34 +01:00

UHF_stability.f90

fix bug in GHF search

2023-11-07 16:11:01 +01:00

UHF.f90

GHF search

2023-11-04 15:17:39 +01:00