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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 04:43:50 +01:00
Commit Graph

2143 Commits

Author SHA1 Message Date
cbf8c54d70 Parallelization of Davidson 2017-04-19 19:45:18 +02:00
27d07d7676 Fixed distributed Davdison 2017-04-19 16:44:34 +02:00
414dda4550 Merge branch 'master' of github.com:scemama/quantum_package 2017-04-19 16:38:15 +02:00
225afd19e6 Tuning 2017-04-19 16:38:05 +02:00
b12e898b11 Fixed selection 2017-04-19 16:21:02 +02:00
d09329f0ff Fixed selection 2017-04-19 15:56:04 +02:00
9b4131139b Fixed selection sort 2017-04-19 15:44:24 +02:00
1ac36ab762 Accelerated selection 2017-04-19 15:31:12 +02:00
69a747fde0 Tuned N_int 2017-04-19 13:06:54 +02:00
48f51a71ce Fixed Davidson 2017-04-19 12:24:09 +02:00
dd59338083 Working on davidson 2017-04-19 12:08:37 +02:00
0af043390c Tuned davidson 2017-04-18 18:55:51 +02:00
b4aef21b50 Tuned davidson 2017-04-18 18:41:07 +02:00
df95c1af1c Corrected memory leak in Davidson 2017-04-18 18:22:47 +02:00
6d3a801d0e Parallelization of Davidson 2017-04-18 16:46:08 +02:00
dc5e5f024d fixed Davidson 2017-04-18 16:25:37 +02:00
6b49eb5906 Fixed Davidson 2017-04-18 15:27:26 +02:00
ae0815bfac Removed CSC array 2017-04-18 14:52:23 +02:00
fd2f7f3447 Changed defaults in Davidson 2017-04-18 00:32:22 +02:00
3b2d23c745 Fixed CSC 2017-04-18 00:18:59 +02:00
a888564851 CSC storage for singles alpha 2017-04-18 00:17:16 +02:00
9e454d267b CSC storage for singles alpha 2017-04-18 00:02:01 +02:00
fd882fc0c9 Radix sort for negative numbers 2017-04-17 22:59:12 +02:00
dc2481c966 Less memory in Davdison 2017-04-17 03:58:02 +02:00
30d529aeb2 Less memory in Davdison 2017-04-17 02:54:19 +02:00
04e9918b90 Davidson ZMQ OK 2017-04-17 01:36:16 +02:00
d72440a44c Working on Davdison 2017-04-16 22:23:11 +02:00
c30bdd34b8 fixed Davidson 2017-04-16 12:08:12 +02:00
957fa694e2 Debugged Davidson for large Ndet 2017-04-16 03:24:03 +02:00
9d3d843bc7 Debugged Davidson for large Ndet 2017-04-16 01:28:35 +02:00
fd6af192b2 Davidson OK 2017-04-15 01:07:38 +02:00
bddd875af7 OpenMP davidson 2017-04-14 18:16:31 +02:00
7a09448f62 OpenMP davidson 2017-04-14 18:11:02 +02:00
923eec3c25 OpenMP davidson 2017-04-14 16:49:08 +02:00
23685ab5d0 New Davidson OK 2017-04-14 15:41:35 +02:00
3a824d5d0a New Davidson OK 2017-04-14 15:04:29 +02:00
2e65943c0b Bug corrected in selection tasks 2017-04-14 12:04:21 +02:00
26c591c183 Fast davidson 2017-04-14 11:18:13 +02:00
77f38a94a2 working on davidson 2017-04-14 11:09:55 +02:00
6d30e194b8 working on davidson 2017-04-13 20:04:35 +02:00
2d9b3573b1 Inactives deactivated in MRCC 2017-04-13 00:47:44 +02:00
e0183e998c Fixed CASSD 2017-04-12 20:23:04 +02:00
11aeaa91c7 Removed integer*2 2017-04-12 19:50:56 +02:00
1d6593a288 pedantic changes 2017-04-12 19:29:21 +02:00
1f96871534 Fixed memory bugs 2017-04-12 18:44:20 +02:00
7af4c3705b Fixed travis 2017-04-12 16:07:29 +02:00
6469a6547f openmp 2017-04-12 15:39:16 +02:00
4103b1d3e1 Bug in pt2 stoch 2017-04-12 15:32:02 +02:00
ae7b7024de Corrcted output in pt2_stoch 2017-04-12 15:11:47 +02:00
174144f357 pt2_stoch 2017-04-12 15:08:41 +02:00