eginer
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a38bf00975
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updated default keywords in tc_keywords and ao_twoe_e_ints
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2024-05-08 17:26:48 +02:00 |
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eginer
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42fdb3c435
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it works with new routines for pt2 tc
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2024-05-07 21:00:19 +02:00 |
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eginer
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18fd70f1b8
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added get_d1_transp.irp.f
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2024-05-07 20:18:24 +02:00 |
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eginer
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b7787f5e6d
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trying to speed up the PT2 in TC by transposing the array of tc integrals
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2024-05-07 19:43:05 +02:00 |
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eginer
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17ae4d8fe2
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added tc_progs
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2024-05-07 18:27:09 +02:00 |
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eginer
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64523de3ae
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minor modifs in cipsi_tc_bi_ortho/selection.irp.f
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2024-03-22 18:33:17 +01:00 |
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f3a3c3ee63
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Merge branch 'master' into dev-stable
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2024-03-20 15:03:37 +01:00 |
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Kevin Gasperich
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65d7ca1aa2
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Merge branch 'master' into ormas-clean
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2024-03-19 11:08:38 -05:00 |
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eginer
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a56488e3a8
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fci_tc_bi_ortho works for multi state ninja
continuous-integration/drone/push Build is failing
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2024-03-12 18:23:09 +01:00 |
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eginer
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fdc418d72a
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fixed print in TC
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2024-03-12 17:45:50 +01:00 |
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eginer
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28912ce5ca
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Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable
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2024-03-12 17:38:38 +01:00 |
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0618372b29
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Commented out select_singles in TC
continuous-integration/drone/push Build is failing
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2024-03-12 17:38:30 +01:00 |
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eginer
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fee83210a7
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Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable
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2024-03-12 17:29:44 +01:00 |
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f816773102
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Refactor CIPSI / TC-CIPSI
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2024-03-12 17:27:43 +01:00 |
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9a15fecd6a
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Merging CIPSI and TC-CIPSI
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2024-03-12 16:42:08 +01:00 |
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0ef067337d
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Introducing cipsi_utils for CIPSI and TC-CIPSI
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2024-03-12 16:37:52 +01:00 |
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eginer
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6e35f8f8f8
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fixed n_states > 1 for TC
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2024-03-12 15:30:52 +01:00 |
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eginer
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9175fb21c9
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modifs in json and diagonalize_ci for fci tc bi
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2024-03-12 14:05:38 +01:00 |
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30096e07ea
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Merging TC with cipsi
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2024-02-28 15:02:39 +01:00 |
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b95c8142a5
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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