Yann Garniron
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28f1c57697
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removed single selection
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2017-01-12 17:34:42 +01:00 |
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Yann Garniron
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414a798168
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merge with MASTER
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2017-01-12 16:48:34 +01:00 |
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Yann Garniron
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9e11ebdc72
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Merge branch 'master' of https://github.com/scemama/quantum_package into scemama-master
Conflicts:
plugins/Full_CI_ZMQ/selection_double.irp.f
src/Davidson/diagonalization_hs2.irp.f
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2017-01-12 16:19:39 +01:00 |
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Yann Garniron
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c525fddf44
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forgot file
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2017-01-12 15:46:10 +01:00 |
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Yann Garniron
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fb1fa1af38
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hard-coded fragmentation of first generators
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2017-01-12 15:09:27 +01:00 |
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3979677a82
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MRSC2 no amplitudes
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2017-01-11 15:04:00 +01:00 |
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Yann Garniron
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6881056eaf
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pt2 slave
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2017-01-05 15:27:05 +01:00 |
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Yann Garniron
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5f21ec66e2
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working
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2017-01-04 14:44:18 +01:00 |
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Yann Garniron
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d1e52144d3
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bias at long runtime
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2017-01-04 13:41:37 +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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Anthony Scemama
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67baa43bc4
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Merge pull request #47 from LCPQ/master
Merge LCPQ
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2017-01-04 12:07:52 +01:00 |
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Yann Garniron
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e1d014aa41
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init
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2017-01-04 10:06:41 +01:00 |
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Anthony Scemama
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bdd71bcaff
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Merge pull request #179 from barrymoo/allow_non-default_opamroot
Allow for non-default OPAMROOT locations
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2017-01-04 09:53:42 +01:00 |
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Thomas Applencourt
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66dea5e7b8
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Corrected OPAM_PATH
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2017-01-03 19:29:09 -06:00 |
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Barry Moore
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092992aa49
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Minimize code addition
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2017-01-03 19:39:31 -05:00 |
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Thomas Applencourt
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230c07f0f7
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Merge pull request #178 from barrymoo/minor_zlib_upgrade
Minor fix to zlib download
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2017-01-03 17:50:00 -06:00 |
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Barry Moore
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ddf798119f
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Allow for non-default OPAMROOT locations
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2017-01-03 18:47:21 -05:00 |
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Barry Moore
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3af4913e2d
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Minor fix to zlib download
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2017-01-03 18:03:39 -05:00 |
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0ef200d6b1
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Forgot files
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2016-12-29 22:11:17 +01:00 |
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bbe9024304
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Forgot file
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2016-12-29 22:01:09 +01:00 |
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82772b96c7
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MRCC_selected
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2016-12-29 22:00:41 +01:00 |
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fb5432abe0
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Better target_pt2_ratio_zmq
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2016-12-26 19:02:53 +01:00 |
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956c1e4680
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target_pt2_ratio_zmq
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2016-12-26 17:38:26 +01:00 |
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8cbe460f17
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Introduces PT2max ZMQ
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2016-12-26 17:11:44 +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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f7943d74f7
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Merge branch 'master' of github.com:scemama/quantum_package
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2016-12-19 13:27:54 +01:00 |
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3e37fcd12b
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Wf analyzis
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2016-12-19 13:27:16 +01:00 |
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bf02a9b3ef
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Merge branch 'master' of github.com:scemama/quantum_package
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2016-12-15 12:10:55 +01:00 |
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bbc6065f25
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Improved parallelism in davidson
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2016-12-15 12:10:43 +01:00 |
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Thomas Applencourt
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032d3e2f7e
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Merge pull request #177 from scemama/master
Finalized MR-CCSD
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2016-12-13 11:57:18 -06:00 |
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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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c911db7f8e
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Accelerated u0_h_u0
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2016-12-13 12:40:12 +01:00 |
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683189855a
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De-symmetrized u0_H_u0
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2016-12-13 12:29:48 +01:00 |
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fcf621e5e0
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Removed comments
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2016-12-13 09:41:41 +01:00 |
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348032f200
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Solved MRPT_Utils problem
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2016-12-12 21:26:01 +01:00 |
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Anthony Scemama
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2b1c8cd5d8
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Merge pull request #46 from LCPQ/master
Merge LCPQ
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2016-12-12 21:24:51 +01:00 |
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c07fa3ad36
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Merge branch 'develop' of github.com:scemama/quantum_package into develop
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2016-12-12 14:24:39 +01:00 |
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05539f8a66
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Merge branch 'develop'
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2016-12-12 14:24:05 +01:00 |
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8348862975
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More applications of H in fci_zmq
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2016-12-12 14:22:52 +01:00 |
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2077a310db
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Merge branch 'develop'
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2016-12-12 12:24:02 +01:00 |
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f2719e33f5
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Fixed mrcc=2
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2016-12-12 12:16:56 +01:00 |
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b9255c1a51
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Minor changes
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2016-12-09 15:52:55 +01:00 |
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ee29506352
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Accelerated amplitudes
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2016-12-08 22:57:31 +01:00 |
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5e4d5a62e4
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Randomized multiplet guess
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2016-12-07 20:51:58 +01:00 |
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c07b0381b7
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Acceleration of Davidson for Nint>1
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2016-12-06 11:31:15 +01:00 |
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e6c8cf2e25
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Merge branch 'master' into develop
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2016-12-05 09:40:42 +01:00 |
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ca9d34864b
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threshold davidson = thres * 100
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2016-12-05 09:28:04 +01:00 |
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cc66ed86db
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Minor changes
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2016-12-03 18:58:07 +01:00 |
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