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c4b7fda051
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Created amplitudes module
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2019-09-10 16:35:14 +02:00 |
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6778974ae5
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Guess amplitudes OK
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2019-09-10 13:35:20 +02:00 |
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aee13ced42
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Working on CC
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2019-09-09 17:48:01 +02:00 |
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c69525722a
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fork CC from mveril and pfloos
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2019-09-09 16:51:15 +02:00 |
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ab8ff0c2ba
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Extract CC amplitudes
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2019-09-09 15:08:43 +02:00 |
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dd65b2677b
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CASSDTQ
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2019-08-25 12:21:05 +02:00 |
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67e2818ee2
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Added QMCChem module
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2019-07-23 15:12:25 +02:00 |
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5e60f68b89
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Plugin for reading AO integrals
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2019-07-23 14:45:31 +02:00 |
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ce2f6f4a67
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Accelerated
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2019-06-18 11:15:17 +02:00 |
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2906771a3d
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Obsolete variance plugin
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2019-06-17 19:22:29 +02:00 |
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604b88e2da
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Compute the H elements for QMC
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2019-06-17 19:20:38 +02:00 |
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5978792a58
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Add rpt2 matching
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2019-06-04 10:44:03 +02:00 |
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6dfb4d3d00
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Added overwrite_with_cas
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2019-05-28 09:20:40 +02:00 |
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569faa4e23
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Updated variance for stopping
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2019-05-27 17:54:29 +02:00 |
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39250742fd
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Added 2RDM plugin
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2019-05-15 09:43:03 +02:00 |
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9f58127726
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Added truncate-nonzero
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2019-05-13 14:07:52 +02:00 |
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0d8250e686
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Added truncate_wf
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2019-04-25 13:58:35 +02:00 |
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d1c428ee1f
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Add mp2
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2019-04-08 10:20:00 +02:00 |
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f02e90120a
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Add variance
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2019-04-08 10:13:10 +02:00 |
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dada661eec
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Added DDCI possibility
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2019-01-23 20:19:19 +01:00 |
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461e86d46e
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Added CASSD
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2019-01-23 18:25:02 +01:00 |
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e0b4a1f42f
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champ module
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2019-01-23 17:42:42 +01:00 |
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Anthony Scemama
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3aba950570
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Initial commit
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2019-01-23 16:15:09 +00:00 |
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