eginer
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419ed79c49
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added transition two rdm
continuous-integration/drone/push Build is failing
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2024-02-10 12:48:29 +01:00 |
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eginer
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d9b2298d9a
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improved casscf and added README.rst
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2023-10-06 15:36:38 +02:00 |
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eginer
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fe27080069
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beginning to introduce a factor 2 in two-rdm
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2023-02-27 15:27:39 +01:00 |
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Emmanuel Giner
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6b282c042c
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all 2rdm clean and work with openmp
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2020-03-22 17:15:39 +01:00 |
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Emmanuel Giner
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d96108f772
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openmp for multi state 2rdm work
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2020-03-20 22:20:12 +01:00 |
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Emmanuel Giner
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d7b2714521
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alpha beta 2rdm work for openmp
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2020-03-20 20:32:16 +01:00 |
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Emmanuel Giner
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27ab9ed2d7
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alpha alpha 2rdm work for openmp
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2020-03-20 20:22:48 +01:00 |
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Emmanuel Giner
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068c3fa027
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beginning to put openmp in all_states 2rdm
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2020-03-20 14:36:52 +01:00 |
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Emmanuel Giner
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244831673d
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openmp version of state average dm work
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2020-03-20 11:04:36 +01:00 |
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Emmanuel Giner
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cac0146fe9
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orb range routines omp seem to work
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2020-03-20 10:41:03 +01:00 |
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Emmanuel Giner
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c3f181c454
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only active and full 2 rdms are ok
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2020-03-19 15:57:49 +01:00 |
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