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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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1d6593a288
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pedantic changes
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2017-04-12 19:29:21 +02:00 |
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1f96871534
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Fixed memory bugs
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2017-04-12 18:44:20 +02:00 |
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4103b1d3e1
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Bug in pt2 stoch
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2017-04-12 15:32:02 +02:00 |
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06efe7ca16
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Added -state option to qp_edit
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2017-04-12 14:46:12 +02:00 |
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57c5892d47
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Plumbing
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2017-03-20 16:53:09 +01:00 |
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abf9073a69
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Fixed pt2 stoch print
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2017-03-13 01:04:48 +01:00 |
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fce537fea9
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Introduced PT2stoch
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2017-03-13 00:26:21 +01:00 |
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9ae8a25ab0
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Fixed stoch
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2017-03-03 23:14:04 +01:00 |
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8da52b8f59
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Fixed communications
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2017-03-03 22:20:57 +01:00 |
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c390ee3266
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Format in print
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2017-02-13 00:04:03 +01:00 |
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92d7bbd57e
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Fixed PT2 stoch: fragments broken
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2017-02-10 00:50:37 +01:00 |
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9a7db910d9
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Fixed distributed Davidson
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2017-02-08 20:54:15 +01:00 |
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20edbbd777
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More frequent teeth updates
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2017-02-01 22:25:27 +01:00 |
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245a2a90ed
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Fixed Travis
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2017-02-01 21:52:37 +01:00 |
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5f2407ce22
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Fixed Travis warning
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2017-02-01 21:39:34 +01:00 |
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1dfc8979be
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Reduced nb of tooth fillings
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2017-02-01 17:53:53 +01:00 |
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fe5f640346
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Corrected bug in pt2stoch
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2017-02-01 17:00:39 +01:00 |
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ca0f0732c2
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Corrected bug in pt2_find
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2017-02-01 16:35:47 +01:00 |
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832585a6ca
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Acceleration of pt2_find
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2017-02-01 15:17:50 +01:00 |
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