eginer
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6985d4d549
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the casscf does not work with mo optimization ...
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2024-07-12 18:25:17 +02:00 |
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eginer
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228796cff5
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split the mo_optimization into mo_optimizatio_utils and mo_optimization
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2024-07-12 17:41:15 +02:00 |
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a1eb62f66d
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Merge branch 'dev-stable' of github.com:AbdAmmar/qp2 into AbdAmmar-dev-stable
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2024-05-06 17:32:37 +02:00 |
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4f296efb66
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Fixed qp_export_as_tgz
continuous-integration/drone/push Build is failing
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2023-12-05 17:19:47 +01:00 |
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eginer
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2b62bfc999
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working on casscf_cipsi
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2023-10-06 11:28:20 +02:00 |
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c0b221f647
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Change defaults in mo_optimization
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2023-08-22 11:27:36 +02:00 |
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7afc7e5fa4
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OpenMP in MO optimization
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2023-08-22 10:49:59 +02:00 |
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0242e9c376
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Changed formats E to ES
continuous-integration/drone/push Build is failing
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2023-07-04 22:17:31 +02:00 |
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Emmanuel Giner LCT
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d4b0312414
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removed UGLY NON ASCII CHARACTERS
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2023-06-29 18:31:48 +02:00 |
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a56644a808
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remove old stuffs
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2023-06-13 14:24:39 +02:00 |
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20d057b7d1
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unecessary parameter
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2023-04-21 13:44:51 +02:00 |
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f228b0a3a4
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missing program
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2023-04-21 13:43:49 +02:00 |
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b71888f459
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add mo optimization
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2023-04-18 13:56:30 +02:00 |
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