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5da6a5afa1
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Merge branch 'master' into develop
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2016-04-16 21:18:44 +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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b4b8a01be3
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Corrected libint bug
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2016-04-06 21:23:26 +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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177bcb0854
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Corrected pseudos
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2016-04-04 12:25:47 +02:00 |
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809cf9b045
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Added more atoms in pseudo
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2016-04-04 11:48:13 +02:00 |
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a871bc451b
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Merge branch 'master' into develop
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2016-04-04 11:03:31 +02:00 |
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e125ab3e0e
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Added Trail-Needs small core pseudos
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2016-04-03 18:19:35 +02:00 |
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1754dfaca7
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Added Trail-Needs pseudopotentials
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2016-04-03 17:08:34 +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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7587b2bff9
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Merge branch 'master' into develop
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2016-03-30 01:21:48 +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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11493e7082
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Repaired Ocaml installation
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2016-03-29 16:00:02 +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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57709397d1
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Cleaning
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2016-03-28 23:45:25 +02:00 |
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d6b970e8a7
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Auto-generation of libint required files
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2016-03-22 13:28:03 +01:00 |
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Anthony Scemama
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064998dba7
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Merge pull request #33 from TApplencourt/master
Libint
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2016-03-07 20:47:25 +01:00 |
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60d253ca4e
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Merge branch 'master' into develop
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2016-03-07 20:41:48 +01:00 |
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TApplencourt
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b521a8d015
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Merge branch 'master' of github.com:TApplencourt/quantum_package
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2016-03-07 20:35:56 +01:00 |
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TApplencourt
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eec846e127
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Fix libint integral
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2016-03-07 20:35:38 +01:00 |
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Thomas Applencourt
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7613488976
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Merge pull request #38 from scemama/master
Good
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2016-03-07 20:33:50 +01:00 |
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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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8720911ef7
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Fixed QMCPACK bugs
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2016-03-07 19:47:26 +01:00 |
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TApplencourt
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17992cc1ea
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Add eigen in libint in configure script
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2016-03-07 18:23:22 +01:00 |
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TApplencourt
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67be38f588
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Add .cc
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2016-03-07 17:32:33 +01:00 |
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TApplencourt
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9f298cf670
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Working libint
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2016-03-07 17:28:07 +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 |
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TApplencourt
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f20e735a18
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Merging
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2016-03-04 18:33:04 +01:00 |
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