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3f2f870281
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ZMQ socket options
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2016-05-26 12:12:43 +02:00 |
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7b1a5efb88
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Corrected SVD 1x1 bug
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2016-05-11 21:59:21 +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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08e557dac4
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Repaired ZMQ
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2016-05-10 23:21:38 +02:00 |
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330de7b32f
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H with pseudo doesnt segfault
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2016-05-10 18:38:54 +02:00 |
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078ee95e12
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Bug in ei_handler
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2016-05-04 16:14:59 +02:00 |
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1354ab86fb
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Optim MRCC + davidson
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2016-05-02 17:06:18 +02:00 |
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d35d555eda
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Davidson thresold
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2016-05-02 10:31:57 +02:00 |
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68247ee14a
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Repaired qp_ao_ints
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2016-04-19 20:34:43 +02:00 |
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1013b6f7f7
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Replaced PUSH/PULL by REQ/REP
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2016-04-18 12:51:50 +02:00 |
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eec834be96
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Print mask
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2016-04-16 21:18:38 +02:00 |
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ac58cfd0ce
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Forgot files
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2016-04-11 10:48:36 +02:00 |
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0821e76995
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Extract CAS
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2016-04-11 10:39:27 +02:00 |
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3298edad85
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Removed normalization of psi_ref in lambda_MRCC
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2016-04-07 10:55:21 +02:00 |
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4dda44e324
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Added swap_mos program
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2016-04-04 12:43:50 +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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d20c63f0fe
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Forgot H_apply
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2016-04-01 23:46:24 +02:00 |
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27b7c34106
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MRCC+PT2
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2016-04-01 23:33:58 +02:00 |
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dd8647d5aa
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Introduced provider for psi_ref_coef_normalized
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2016-04-01 01:32:23 +02:00 |
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3b2735886e
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Test in lambda
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2016-04-01 00:05:44 +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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1ae3e9b5f4
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Official Lambda_MRCC
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2016-03-31 16:48:23 +02:00 |
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39d4186d28
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Removed extra MRCC iteration
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2016-03-31 11:51:25 +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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9ccfca6a07
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Merge branch 'garniron-master'
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2016-03-31 10:51:41 +02:00 |
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c05bbc8758
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Corrected MRCC bug
Conflicts:
plugins/MRCC_Utils/mrcc_utils.irp.f
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2016-03-31 10:51:09 +02:00 |
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Yann Garniron
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1469822e94
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corrected bug in MRCC
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2016-03-31 10:40:39 +02:00 |
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71e7c51608
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Added mrcc_noiter
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2016-03-30 21:34:53 +02:00 |
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a196526f8c
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Improved MRCC
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2016-03-30 21:33:38 +02:00 |
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Yann Garniron
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c7de30e580
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microlist for MRCC
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2016-03-30 17:37:22 +02:00 |
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garniron
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0c6f650323
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Merge pull request #10 from scemama/master
merge with scemama
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2016-03-30 09:23:19 +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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c504518542
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MRCC acceleration
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2016-03-29 23:18:26 +02:00 |
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a6911ff85b
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Fixed compilation
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2016-03-29 21:16:40 +02:00 |
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37f091845c
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Updated lambda MRCC
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2016-03-29 14:13:02 +02:00 |
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6b3ba6a99e
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Fixed QMCPACK bugs (Issue #154)
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2016-03-07 20:13:43 +01:00 |
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TApplencourt
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92094534e2
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Fix qmc pack converter
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2016-03-07 10:51:11 +01:00 |
|
Thomas Applencourt
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7c0c3e0391
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Merge pull request #153 from scemama/master
Fixed #152 and corrected qp_edit bug
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2016-03-04 13:57:19 +01:00 |
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e1707d4313
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Merge branch 'master' into develop
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2016-03-04 12:19:51 +01:00 |
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58cfe027d4
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Merge branch 'LCPQ-master'
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2016-03-04 12:14:09 +01:00 |
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46e7005e7b
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Fixed #152
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2016-03-04 12:11:38 +01:00 |
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5dd55ffab9
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Corrected bug in qp_edit determinants
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2016-03-04 11:58:22 +01:00 |
|
Thomas Applencourt
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fb0e6a9d86
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Merge pull request #149 from scemama/master
Distributed PT2
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2016-03-04 11:56:02 +01:00 |
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TApplencourt
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54a001743b
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qmcpack Transform +/- -> 10
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2016-03-01 15:42:16 +01:00 |
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TApplencourt
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590b0d6edb
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Fix qmcpack convert
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2016-02-29 11:26:33 +01:00 |
|
Thomas Applencourt
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3f38c8a81c
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It seem the Second 64 is always 0 in psi_det
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2016-02-26 17:07:36 +01:00 |
|
Thomas Applencourt
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fa2499bc4e
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Z are now Z effectif in block.
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2016-02-26 14:17:05 +01:00 |
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0e4b6c0b53
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Minor change
|
2016-02-23 09:21:29 +01:00 |
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