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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
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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
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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
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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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391c7b3362
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source quantum_package.rc in travis
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2016-01-14 17:03:55 +01:00 |
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