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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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fix scf convergence issues in RHF, UHF, ROHF and GHF
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2023-11-17 00:26:44 +01:00 |
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GHF_stability.f90
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fix bug in GHF search
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2023-11-07 16:11:01 +01:00 |
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GHF.f90
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adding S2 in qsGGW and qsUGW
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2023-11-20 12:03:36 +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_spin.f90
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cleaning up collinearity test
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2023-11-18 22:40:07 +01:00 |
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print_GHF.f90
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clean up print excitation energy
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2023-11-22 10:07:23 +01:00 |
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print_RHF.f90
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clean up print excitation energy
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2023-11-22 10:07:23 +01:00 |
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print_ROHF.f90
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clean up print excitation energy
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2023-11-22 10:07:23 +01:00 |
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print_UHF.f90
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clean up print excitation energy
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2023-11-22 10:07:23 +01:00 |
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RHF_search.f90
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cleaning up AOtoMO transformation for RHF and UHF
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2023-11-22 16:20:14 +01:00 |
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RHF_stability.f90
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fix bug in GHF search
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2023-11-07 16:11:01 +01:00 |
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RHF.f90
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small modifs in HF
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2023-11-20 14:57:45 +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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rename AOtoMO and MOtoAO
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2023-11-10 17:22:51 +01:00 |
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ROHF.f90
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fix scf convergence issues in RHF, UHF, ROHF and GHF
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2023-11-17 00:26:44 +01:00 |
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UHF_search.f90
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cleaning up AOtoMO transformation for RHF and UHF
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2023-11-22 16:20:14 +01:00 |
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UHF_stability.f90
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fix bug in GHF search
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2023-11-07 16:11:01 +01:00 |
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UHF.f90
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small modifs in HF
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2023-11-20 14:57:45 +01:00 |
