scemama
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70d52c126a
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Larges messages for 100M
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2017-05-24 15:24:20 +02:00 |
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ef5f905afc
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Dissymmetrized u0Hu0: less memory and communication
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2017-05-18 11:25:00 +02:00 |
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ca4ad5687b
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Parallelized psi_energy
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2017-05-17 21:23:03 +02:00 |
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3d51dde718
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ASSERT Fixed
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2017-05-16 15:32:48 +02:00 |
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c06a4c2ecd
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Fixed u0Hu0
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2017-05-16 10:42:14 +02:00 |
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1c3d8f6a09
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Fixed bug in u0Hu0
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2017-05-15 12:33:41 +02:00 |
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cbf8c54d70
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Parallelization of Davidson
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2017-04-19 19:45:18 +02:00 |
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69a747fde0
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Tuned N_int
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2017-04-19 13:06:54 +02:00 |
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48f51a71ce
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Fixed Davidson
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2017-04-19 12:24:09 +02:00 |
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dd59338083
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Working on davidson
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2017-04-19 12:08:37 +02:00 |
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df95c1af1c
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Corrected memory leak in Davidson
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2017-04-18 18:22:47 +02:00 |
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6d3a801d0e
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Parallelization of Davidson
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2017-04-18 16:46:08 +02:00 |
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6b49eb5906
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Fixed Davidson
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2017-04-18 15:27:26 +02:00 |
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ae0815bfac
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Removed CSC array
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2017-04-18 14:52:23 +02:00 |
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a888564851
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CSC storage for singles alpha
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2017-04-18 00:17:16 +02:00 |
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04e9918b90
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Davidson ZMQ OK
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2017-04-17 01:36:16 +02:00 |
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d72440a44c
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Working on Davdison
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2017-04-16 22:23:11 +02:00 |
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c30bdd34b8
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fixed Davidson
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2017-04-16 12:08:12 +02:00 |
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957fa694e2
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Debugged Davidson for large Ndet
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2017-04-16 03:24:03 +02:00 |
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9d3d843bc7
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Debugged Davidson for large Ndet
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2017-04-16 01:28:35 +02:00 |
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fd6af192b2
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Davidson OK
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2017-04-15 01:07:38 +02:00 |
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bddd875af7
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OpenMP davidson
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2017-04-14 18:16:31 +02:00 |
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7a09448f62
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OpenMP davidson
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2017-04-14 18:11:02 +02:00 |
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923eec3c25
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OpenMP davidson
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2017-04-14 16:49:08 +02:00 |
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23685ab5d0
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New Davidson OK
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2017-04-14 15:41:35 +02:00 |
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3a824d5d0a
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New Davidson OK
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2017-04-14 15:04:29 +02:00 |
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2e65943c0b
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Bug corrected in selection tasks
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2017-04-14 12:04:21 +02:00 |
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26c591c183
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Fast davidson
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2017-04-14 11:18:13 +02:00 |
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77f38a94a2
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working on davidson
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2017-04-14 11:09:55 +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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6469a6547f
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openmp
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2017-04-12 15:39:16 +02:00 |
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7c8506386f
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Same spin OK
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2017-04-02 16:42:32 +02:00 |
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f5903b960c
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Debug in davidson
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2017-04-01 00:14:09 +02:00 |
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60164de0c0
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Accelerated selection
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2017-03-30 01:13:27 +02:00 |
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f8da3159f0
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Merge branch 'master' of github.com:scemama/quantum_package
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2017-03-25 11:57:12 +01:00 |
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3d21999c7e
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ZMQ checks
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2017-03-25 11:57:06 +01:00 |
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1ae57b97f8
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Temporary fix for parallel davdison
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2017-03-25 11:56:08 +01:00 |
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b4395468a1
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Optims davidson
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2017-03-06 18:29:39 +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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feb9752ecb
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Accelerated distributed Davidson
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2017-03-01 01:19:17 +01:00 |
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9afc82c878
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Less pressure on qp_run when ading tasks
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2017-02-28 22:43:59 +01:00 |
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8b1d083de9
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Memory in Davidson
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2017-02-27 12:31:41 +01:00 |
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9354d7f5f1
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Fixed many bugs
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2017-02-10 03:24:12 +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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82772b96c7
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MRCC_selected
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2016-12-29 22:00:41 +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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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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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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