|
|
3aeff1b2b1
|
Fixed MPI parallelism
|
2017-11-27 00:09:25 +01:00 |
|
|
|
d6ac6e6e73
|
Debugging
|
2017-11-26 11:15:58 +01:00 |
|
|
|
e55a1565e8
|
MPI test is OK
|
2017-11-23 10:35:13 +01:00 |
|
|
|
38831926db
|
Final print
|
2017-11-22 16:21:16 +01:00 |
|
|
|
66930be4c4
|
Print
|
2017-11-21 17:20:18 +01:00 |
|
|
|
32614df72b
|
Fixed multi-state
|
2017-11-21 15:52:16 +01:00 |
|
|
|
cd3c13077a
|
Multi-state PT2
|
2017-11-21 14:53:32 +01:00 |
|
|
|
a290736145
|
Fixed PT2 stoch multistate
|
2017-11-21 10:43:38 +01:00 |
|
|
|
14eb5b4a42
|
Multi-state PT2 OK
|
2017-11-20 15:19:00 +01:00 |
|
|
|
d83c9d3712
|
Fixed travis
|
2017-10-30 16:21:26 +01:00 |
|
|
|
8826ba9c2d
|
Fixed travis
|
2017-10-30 15:35:55 +01:00 |
|
Emmanuel Giner
|
301b459f1b
|
Merge http://github.com/scemama/quantum_package
|
2017-10-27 12:21:45 +02:00 |
|
Emmanuel Giner
|
b447da300e
|
Modifs Manus
|
2017-10-27 12:20:00 +02:00 |
|
|
|
f8ee845825
|
Fixed Slater's Rules
|
2017-10-05 18:48:38 +02:00 |
|
|
|
827e6933d4
|
Commit
|
2017-10-02 09:49:22 +02:00 |
|
|
|
45cafb9000
|
Removed do_pt2_end for do_pt2
|
2017-06-26 19:12:44 +02:00 |
|
|
|
df92bd52e4
|
Fixing travis
|
2017-06-07 21:56:46 +02:00 |
|
|
|
b2a5d497a0
|
Cleaning in PT2 stoch
|
2017-05-30 14:31:41 +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 |
|
|
|
ed7aeac2f6
|
Cleaned PT2 stoch
|
2017-05-10 01:34:29 +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 |
|
|
|
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 |
|
|
|
016402350f
|
Print seconds in PT2 stoch
|
2017-05-09 15:45:13 +02:00 |
|
|
|
172d38a04e
|
Using 50 comb teeth in pt2 stoch
|
2017-05-05 16:11:11 +02:00 |
|
|
|
f9b9b9a876
|
Fixed tests
|
2017-05-05 15:54:08 +02:00 |
|
|
|
78fe5aeda6
|
Reduced deterministic set in pt2 stoch
|
2017-05-05 15:24:04 +02:00 |
|
|
|
49b413f486
|
Fixed PT2 stoch
|
2017-05-05 15:08:51 +02:00 |
|
|
|
4a043229b7
|
Killed sort bottleneck in selection
|
2017-05-05 11:32:17 +02:00 |
|
|
|
7f32fab829
|
Added quicksort
|
2017-05-05 10:21:31 +02:00 |
|
|
|
be00409eaf
|
Fixed minor bugs
|
2017-05-02 16:43:55 +02:00 |
|
|
|
2454862cb0
|
Working on print in pt2 stoch
|
2017-04-24 18:20:45 +02:00 |
|
|
|
6882c915d8
|
Cleaning
|
2017-04-20 19:02:46 +02:00 |
|
|
|
6d30e194b8
|
working on davidson
|
2017-04-13 20:04:35 +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 |
|
|
|
4103b1d3e1
|
Bug in pt2 stoch
|
2017-04-12 15:32:02 +02:00 |
|
|
|
06efe7ca16
|
Added -state option to qp_edit
|
2017-04-12 14:46:12 +02:00 |
|
|
|
57c5892d47
|
Plumbing
|
2017-03-20 16:53:09 +01:00 |
|
|
|
abf9073a69
|
Fixed pt2 stoch print
|
2017-03-13 01:04:48 +01:00 |
|
|
|
fce537fea9
|
Introduced PT2stoch
|
2017-03-13 00:26:21 +01:00 |
|
|
|
9ae8a25ab0
|
Fixed stoch
|
2017-03-03 23:14:04 +01:00 |
|
|
|
8da52b8f59
|
Fixed communications
|
2017-03-03 22:20:57 +01:00 |
|
|
|
c390ee3266
|
Format in print
|
2017-02-13 00:04:03 +01:00 |
|
|
|
92d7bbd57e
|
Fixed PT2 stoch: fragments broken
|
2017-02-10 00:50:37 +01:00 |
|
|
|
9a7db910d9
|
Fixed distributed Davidson
|
2017-02-08 20:54:15 +01:00 |
|
