.. |
obj
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
core_guess.f90
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level shift and proper guess
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2022-02-02 15:06:51 +01:00 |
density_matrix.f90
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remove COHSEX and modify phLR in GW routines
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2023-07-18 14:59:18 +02:00 |
density.f90
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remove COHSEX and modify phLR in GW routines
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2023-07-18 14:59:18 +02:00 |
dipole_moment.f90
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remove COHSEX and modify phLR in GW routines
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2023-07-18 14:59:18 +02:00 |
GHF_search.f90
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rename AOtoMO and MOtoAO
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2023-11-10 17:22:51 +01:00 |
GHF_stability.f90
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fix bug in GHF search
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2023-11-07 16:11:01 +01:00 |
GHF.f90
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add more test in HF
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2023-11-12 23:02:20 +01:00 |
huckel_guess.f90
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level shift and proper guess
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2022-02-02 15:06:51 +01:00 |
Makefile
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bug in makefile debug
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2020-10-14 16:02:09 +02:00 |
mix_guess.f90
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restructuration QuAcK for restricted and unrestricted branches
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2023-10-25 21:38:20 +02:00 |
mo_guess.f90
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HF solution search
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2023-11-03 19:48:12 +01:00 |
MOM_overlap.f90
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remove COHSEX and modify phLR in GW routines
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2023-07-18 14:59:18 +02:00 |
print_GHF.f90
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added Sz, Sz^2 and S^2 for GHF
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2023-11-13 09:13:58 +01:00 |
print_RHF.f90
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fix ROHF
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2023-11-09 23:23:00 +01:00 |
print_ROHF.f90
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fix ROHF
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2023-11-09 23:23:00 +01:00 |
print_UHF.f90
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AO <-> MO modifs
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2023-11-08 22:58:55 +01:00 |
RHF_search.f90
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rename AOtoMO and MOtoAO
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2023-11-10 17:22:51 +01:00 |
RHF_stability.f90
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fix bug in GHF search
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2023-11-07 16:11:01 +01:00 |
RHF.f90
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add more test in HF
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2023-11-12 23:02:20 +01:00 |
RMOM.f90
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working on GHF
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2023-10-26 09:35:48 +02:00 |
ROHF_fock_matrix.f90
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rename AOtoMO and MOtoAO
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2023-11-10 17:22:51 +01:00 |
ROHF.f90
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introduce test in MP and RPA
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2023-11-11 23:00:00 +01:00 |
UHF_search.f90
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rename AOtoMO and MOtoAO
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2023-11-10 17:22:51 +01:00 |
UHF_stability.f90
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fix bug in GHF search
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2023-11-07 16:11:01 +01:00 |
UHF.f90
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add more test in HF
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2023-11-12 23:02:20 +01:00 |