Yann Garniron
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8b7cb82cf8
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bias when pt2_stoch does full computation
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2018-03-20 13:37:05 +01:00 |
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Yann Garniron
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ade11beb25
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corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk
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2018-03-15 17:47:32 +01:00 |
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8f6e7f4a40
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Added Bk module
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2018-03-05 17:04:26 +01:00 |
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9103c6cf52
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Fixed multi-state
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2018-01-10 18:55:08 +01:00 |
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2b1d6bc9fc
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Cleaning
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2017-12-08 09:45:18 +01:00 |
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0c190934a8
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Format in pseudo
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2017-12-01 13:27:34 +01:00 |
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2e5752f8f5
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Parallelism OK with 50 nodes
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2017-11-29 19:10:27 +01:00 |
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db0e74bf37
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Replace subs by funcs in ZMQ
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2017-11-29 17:28:55 +01:00 |
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4a7a80679b
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Control in put/get
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2017-11-29 13:53:24 +01:00 |
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68967d2101
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Improved Parallelism
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2017-11-27 23:18:18 +01:00 |
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a9aeda4958
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Packed tasks for PT2 stoch
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2017-11-27 19:44:29 +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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3aeff1b2b1
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Fixed MPI parallelism
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2017-11-27 00:09:25 +01:00 |
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d6ac6e6e73
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Debugging
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2017-11-26 11:15:58 +01:00 |
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e55a1565e8
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MPI test is OK
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2017-11-23 10:35:13 +01:00 |
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38831926db
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Final print
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2017-11-22 16:21:16 +01:00 |
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66930be4c4
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Print
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2017-11-21 17:20:18 +01:00 |
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32614df72b
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Fixed multi-state
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2017-11-21 15:52:16 +01:00 |
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cd3c13077a
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Multi-state PT2
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2017-11-21 14:53:32 +01:00 |
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a290736145
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Fixed PT2 stoch multistate
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2017-11-21 10:43:38 +01:00 |
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14eb5b4a42
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Multi-state PT2 OK
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2017-11-20 15:19:00 +01:00 |
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d83c9d3712
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Fixed travis
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2017-10-30 16:21:26 +01:00 |
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8826ba9c2d
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Fixed travis
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2017-10-30 15:35:55 +01:00 |
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Emmanuel Giner
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301b459f1b
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Merge http://github.com/scemama/quantum_package
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2017-10-27 12:21:45 +02:00 |
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Emmanuel Giner
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b447da300e
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Modifs Manus
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2017-10-27 12:20:00 +02:00 |
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f8ee845825
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Fixed Slater's Rules
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2017-10-05 18:48:38 +02:00 |
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827e6933d4
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Commit
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2017-10-02 09:49:22 +02:00 |
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45cafb9000
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Removed do_pt2_end for do_pt2
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2017-06-26 19:12:44 +02:00 |
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df92bd52e4
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Fixing travis
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2017-06-07 21:56:46 +02:00 |
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b2a5d497a0
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Cleaning in PT2 stoch
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2017-05-30 14:31:41 +02:00 |
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b3e3e926a5
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Fixed
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2017-05-10 20:56:47 +02:00 |
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e1b090b76b
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Fixed selection
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2017-05-10 20:42:14 +02:00 |
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859aa648fc
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Accelerated selection : no more O(N2)
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2017-05-10 15:06:03 +02:00 |
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ed7aeac2f6
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Cleaned PT2 stoch
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2017-05-10 01:34:29 +02:00 |
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500bf757e3
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Introduced Abort Keyword
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2017-05-10 00:04:34 +02:00 |
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ff20894479
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Simplified PT2 stoch
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2017-05-09 23:26:27 +02:00 |
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92832b8ed6
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Fixed pt2 stoch
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2017-05-09 21:21:16 +02:00 |
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04e1a90c6a
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PT2 stoch fixed, new algo teeth
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2017-05-09 19:17:07 +02:00 |
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3897f1f154
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Fixed PT2 stoch
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2017-05-09 17:55:15 +02:00 |
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016402350f
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Print seconds in PT2 stoch
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2017-05-09 15:45:13 +02:00 |
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172d38a04e
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Using 50 comb teeth in pt2 stoch
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2017-05-05 16:11:11 +02:00 |
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f9b9b9a876
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Fixed tests
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2017-05-05 15:54:08 +02:00 |
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78fe5aeda6
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Reduced deterministic set in pt2 stoch
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2017-05-05 15:24:04 +02:00 |
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49b413f486
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Fixed PT2 stoch
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2017-05-05 15:08:51 +02:00 |
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4a043229b7
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Killed sort bottleneck in selection
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2017-05-05 11:32:17 +02:00 |
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7f32fab829
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Added quicksort
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2017-05-05 10:21:31 +02:00 |
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be00409eaf
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Fixed minor bugs
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2017-05-02 16:43:55 +02:00 |
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2454862cb0
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Working on print in pt2 stoch
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2017-04-24 18:20:45 +02:00 |
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6882c915d8
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Cleaning
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2017-04-20 19:02:46 +02:00 |
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6d30e194b8
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working on davidson
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2017-04-13 20:04:35 +02:00 |
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