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mirror of https://github.com/pfloos/quack synced 2024-12-25 13:53:52 +01:00
quack/src/HF
2023-10-26 22:07:55 +02:00
..
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_stability.f90 post-GHF methods 2023-10-26 18:00:16 +02:00
GHF.f90 S^2 in GHF 2023-10-26 22:07:55 +02:00
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 post-GHF methods 2023-10-26 18:00:16 +02:00
MOM_overlap.f90 remove COHSEX and modify phLR in GW routines 2023-07-18 14:59:18 +02:00
print_GHF.f90 S^2 in GHF 2023-10-26 22:07:55 +02:00
print_RHF.f90 remove COHSEX and modify phLR in GW routines 2023-07-18 14:59:18 +02:00
print_ROHF.f90 fix UHF 2023-10-24 14:39:02 +02:00
print_UHF.f90 fix typo in ROHF print 2023-09-06 13:23:25 +02:00
RHF_stability.f90 rename LR matrices 2023-07-12 22:37:04 +02:00
RHF.f90 working on GHF 2023-10-26 09:35:48 +02:00
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_stability.f90 rename ULR routines 2023-07-21 13:04:29 +02:00
UHF.f90 working on GHF 2023-10-26 09:35:48 +02:00