|
|
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 |
|
|
|
d89cbacca5
|
Compiles with gfortran
|
2017-04-12 15:05:48 +02:00 |
|
|
|
06efe7ca16
|
Added -state option to qp_edit
|
2017-04-12 14:46:12 +02:00 |
|
|
|
51cff0d890
|
Truncate wave function with -ndet flag of qp_edit
|
2017-04-12 13:15:44 +02:00 |
|
|
|
4715857b07
|
Pseudo is read from resultsFile
|
2017-04-11 16:47:16 +02:00 |
|
|
|
a9f225ef89
|
Added delay in ZMQ
|
2017-04-10 16:43:17 +02:00 |
|
|
|
e00a631641
|
Delay in zmq
|
2017-04-10 16:25:45 +02:00 |
|
|
|
c22289ece5
|
Delay in zmq
|
2017-04-10 16:21:35 +02:00 |
|
