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obj
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
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core_guess.f90
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level shift and proper guess
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2022-02-02 15:06:51 +01:00 |
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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 |
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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 |
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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 |
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GHF_search.f90
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RHF, UHF, and GHF search seem to work
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2023-11-04 15:43:01 +01:00 |
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GHF_stability.f90
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scaling down the eigenvalues in stability analysis
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2023-11-03 14:17:30 +01:00 |
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GHF.f90
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GHF search
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2023-11-04 15:17:39 +01:00 |
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huckel_guess.f90
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level shift and proper guess
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2022-02-02 15:06:51 +01:00 |
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Makefile
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bug in makefile debug
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2020-10-14 16:02:09 +02:00 |
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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 |
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mo_guess.f90
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HF solution search
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2023-11-03 19:48:12 +01:00 |
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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 |
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print_GHF.f90
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evGGF2 and evGGW
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2023-10-27 13:56:53 +02:00 |
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print_RHF.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 |
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print_ROHF.f90
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fix UHF
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2023-10-24 14:39:02 +02:00 |
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print_UHF.f90
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fix typo in ROHF print
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2023-09-06 13:23:25 +02:00 |
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RHF_search.f90
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RHF, UHF, and GHF search seem to work
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2023-11-04 15:43:01 +01:00 |
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RHF_stability.f90
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RHF search
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2023-11-03 15:56:18 +01:00 |
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RHF.f90
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RHF search
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2023-11-03 15:56:18 +01:00 |
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RMOM.f90
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working on GHF
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2023-10-26 09:35:48 +02:00 |
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ROHF_fock_matrix.f90
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OK with ROHF
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2023-09-06 13:16:44 +02:00 |
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ROHF.f90
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working on GHF
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2023-10-26 09:35:48 +02:00 |
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UHF_search.f90
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RHF, UHF, and GHF search seem to work
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2023-11-04 15:43:01 +01:00 |
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UHF_stability.f90
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scaling down the eigenvalues in stability analysis
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2023-11-03 14:17:30 +01:00 |
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UHF.f90
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GHF search
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2023-11-04 15:17:39 +01:00 |
