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Commit Graph

2477 Commits

Author SHA1 Message Date
19d9706cf0 Fixed travis 2017-05-24 16:57:04 +02:00
20e7a23ef7 Fixed pseudos 2017-05-24 15:24:51 +02:00
scemama
70d52c126a Larges messages for 100M 2017-05-24 15:24:20 +02:00
scemama
f80807b163 Use recv8 and snd8 in ZMQ for large wf 2017-05-24 00:06:31 +02:00
2fd46841ae Fixed selection CASSD slave 2017-05-23 19:30:51 +02:00
21bcaa0bf1 Removed production mode in configure 2017-05-23 18:37:41 +02:00
0de5cafcc0 Fixed selection 2017-05-19 14:38:48 +02:00
c518bcff0e phasemask is integer*4 2017-05-19 14:21:21 +02:00
0ae7dfc224 Accelerated OCaml Psi messages 2017-05-18 18:53:55 +02:00
e8f35b59d4 Reduced memory (phasemask) 2017-05-18 17:54:37 +02:00
Thomas Applencourt
84299807f1 Merge pull request #196 from scemama/master
Better parallel scaling
2017-05-18 09:34:13 -05:00
ce623221cd Reduced stask size 2017-05-18 15:05:36 +02:00
ea70831a90 Fixed assert 2017-05-18 14:36:06 +02:00
625decb5ed Set HWM to 1 in ZMQ 2017-05-18 14:11:22 +02:00
5e920a33d1 Reduced memory 2017-05-18 11:35:01 +02:00
ef5f905afc Dissymmetrized u0Hu0: less memory and communication 2017-05-18 11:25:00 +02:00
ef07f9bc8e Merge branch 'master' of github.com:scemama/quantum_package 2017-05-17 22:49:19 +02:00
be8c3b3c4c Fixed davidson slave 2017-05-17 22:49:15 +02:00
b236949b9c Fixed density_matrix 2017-05-17 22:48:24 +02:00
7855e4c07b Distributed davidson for >100k dets 2017-05-17 21:28:34 +02:00
ca4ad5687b Parallelized psi_energy 2017-05-17 21:23:03 +02:00
be733d8f12 Fixed Davdison slave 2017-05-17 09:23:16 +02:00
Thomas Applencourt
cebf1594af Merge pull request #195 from scemama/master
Fixed u0Hu0
2017-05-16 10:15:42 -05:00
e1dbd6795d Fixed for new IRPF90 2017-05-16 16:58:24 +02:00
05df6784da Conditional compiling for ZMQ_PUSH 2017-05-16 16:31:35 +02:00
ae4d564839 Added assert flag for travis 2017-05-16 15:54:34 +02:00
3d51dde718 ASSERT Fixed 2017-05-16 15:32:48 +02:00
c06a4c2ecd Fixed u0Hu0 2017-05-16 10:42:14 +02:00
767074ab95 Added runtime checks 2017-05-16 09:17:16 +02:00
1c3d8f6a09 Fixed bug in u0Hu0 2017-05-15 12:33:41 +02:00
bdd1985ded Commented out sqrt(N) algorithm 2017-05-11 17:28:27 +02:00
7801c57de9 Fixed bug in selection 2017-05-11 10:56:33 +02:00
2a6b86d0ac Fixes previous commit 2017-05-10 22:11:42 +02:00
a08d0ad220 Debug in push/pull 2017-05-10 22:09:53 +02:00
7716ed24d1 Memory leak 2017-05-10 21:50:25 +02:00
60c4bac5ce Fixed segfault 2017-05-10 21:33:53 +02:00
b3e3e926a5 Fixed 2017-05-10 20:56:47 +02:00
e1b090b76b Fixed selection 2017-05-10 20:42:14 +02:00
859aa648fc Accelerated selection : no more O(N2) 2017-05-10 15:06:03 +02:00
Thomas Applencourt
9bc888729e Fix #194 2017-05-09 21:46:34 -05:00
Thomas Applencourt
5e2309246c Merge amazing pull request #193 from scemama/master
Improved Stochastic PT2
2017-05-09 21:39:58 -05:00
a1367c13bc Merge branch 'LCPQ-master' 2017-05-10 01:35:03 +02:00
ed7aeac2f6 Cleaned PT2 stoch 2017-05-10 01:34:29 +02:00
Anthony Scemama
0dc83e7f0e Merge pull request #192 from TApplencourt/master
Add stuff useful for PBC support
2017-05-10 01:33:50 +02:00
500bf757e3 Introduced Abort Keyword 2017-05-10 00:04:34 +02:00
ff20894479 Simplified PT2 stoch 2017-05-09 23:26:27 +02:00
cbafcb5f55 Restored PUSH/PULL 2017-05-09 21:34:01 +02:00
92832b8ed6 Fixed pt2 stoch 2017-05-09 21:21:16 +02:00
04e1a90c6a PT2 stoch fixed, new algo teeth 2017-05-09 19:17:07 +02:00
3897f1f154 Fixed PT2 stoch 2017-05-09 17:55:15 +02:00