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256048d24f
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Fixed MRCC
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2018-06-27 15:20:33 +02:00 |
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d238310394
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Fixed test
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2018-03-20 17:47:33 +01:00 |
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7d18772ba4
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Fixed test
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2018-03-20 17:23:00 +01:00 |
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0df48e6b15
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Cleaning
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2017-11-27 11:28:16 +01:00 |
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8854eeb457
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Fixed four-idx
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2017-10-16 22:47:18 +02:00 |
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7db4bf509b
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Fixed tests
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2017-10-16 18:28:54 +02:00 |
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Thomas Applencourt
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10dd86c72e
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Update pseudo.bats
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2017-07-11 19:50:34 -05:00 |
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Thomas Applencourt
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79092e976e
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Workarroub BLAS-LAPCK error #53 or #51
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2017-07-11 19:39:18 -05:00 |
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Thomas Applencourt
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6858762745
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Update hf.bats
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2017-07-11 19:17:51 -05:00 |
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c2cbe390e1
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Fixed ddcc1a5
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2017-06-26 20:59:59 +02:00 |
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1d1d680bdd
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Update Travis
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2017-06-16 18:28:05 +02:00 |
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2d9b3573b1
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Inactives deactivated in MRCC
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2017-04-13 00:47:44 +02:00 |
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60164de0c0
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Accelerated selection
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2017-03-30 01:13:27 +02:00 |
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63130aa627
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Fixed travis
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2017-02-10 23:46:14 +01:00 |
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8832b28ac9
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Corrected tests
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2017-01-04 12:21:29 +01:00 |
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0653c435cd
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Travis
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2016-12-19 14:24:43 +01:00 |
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d5eb7a1963
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Corrected tests
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2016-12-19 14:13:26 +01:00 |
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2f517fe52c
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Fixed tests
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2016-12-13 18:36:50 +01:00 |
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f85d467d79
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Corrected travis
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2016-12-13 17:09:10 +01:00 |
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e6db22dfd7
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Fixed travis
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2016-12-01 09:46:36 +01:00 |
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222497d6ed
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Fixed Travis
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2016-11-30 18:53:13 +01:00 |
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bc1e564f17
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Fixed Travis
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2016-11-30 18:07:14 +01:00 |
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278c961c0f
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Converge MRCC to 1.e-6
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2016-11-17 23:28:37 +01:00 |
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9a9c5037bb
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Fixed tests
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2016-11-14 20:43:42 +01:00 |
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2b6a0b6c65
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Added travis.cfg
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2016-11-14 20:07:04 +01:00 |
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2b86f75527
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Fixed travis tests
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2016-11-14 19:56:54 +01:00 |
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4bd6cdee23
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Updated tests
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2016-11-14 18:55:20 +01:00 |
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8ef4332406
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Introduced CASSD ZMQ
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2016-11-14 15:50:28 +01:00 |
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a3e2292b8e
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Merge with Dr. Giner
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2016-11-02 21:46:12 +01:00 |
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2b5c93a58a
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Fixed tests
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2016-10-07 19:45:25 +02:00 |
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72bff78dba
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Normalize in input of Davidson
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2016-09-26 20:34:16 +02:00 |
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9bbf5b398a
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Repaired tests
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2016-05-10 23:26:38 +02:00 |
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f0fc7dd39f
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Fixed tests
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2016-04-02 00:10:27 +02:00 |
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fcd0b39077
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Updated tests
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2016-03-31 16:51:58 +02:00 |
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af3038f995
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Repaired tests
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2016-03-31 11:08:24 +02:00 |
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650c67911f
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Repaired tests
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2016-03-31 11:05:39 +02:00 |
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2cd7922b81
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changed lambda mrcc
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2016-03-31 10:59:46 +02:00 |
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45b3a98e4e
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Fixed MRCC test
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2016-03-30 01:21:36 +02:00 |
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20a857c446
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Distributed PT2
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2016-02-19 00:20:28 +01:00 |
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Emmanuel Giner
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2127503405
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added tests for all_1h_1p
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2016-02-16 12:34:04 +01:00 |
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647d4ad6de
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Corrected bug with sperical guess
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2016-02-04 23:33:40 +01:00 |
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ceb4ef8d08
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Updated tests
|
2016-02-04 13:53:57 +01:00 |
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434c1d1e61
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Updated tests in Spherical AOs
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2016-01-27 00:50:45 +01:00 |
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6361e1bf9c
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Merge thomas
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2016-01-26 15:05:46 +01:00 |
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8a5585c4be
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Merge branch 'master' of https://github.com/scemama/quantum_package into scemama-master
Conflicts:
ocaml/qp_create_ezfio_from_xyz.ml
ocaml/qp_edit.ml
tests/bats/qp.bats
|
2016-01-26 14:43:09 +01:00 |
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1bbb2d3e3d
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Repaired tests
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2016-01-26 00:26:27 +01:00 |
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6281d6b658
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Added basis sets as text files.
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2016-01-25 23:38:07 +01:00 |
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TApplencourt
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70aeadfe54
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Fancy
|
2016-01-15 10:59:21 +01:00 |
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TApplencourt
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9147569122
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Chance qp.bats for new basis set usage
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2016-01-15 10:56:34 +01:00 |
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c2ae5bf131
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Renamed test in tests
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2016-01-14 17:12:37 +01:00 |
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