|
63130aa627
|
Fixed travis
|
2017-02-10 23:46:14 +01:00 |
|
Anthony Scemama
|
4ddd03bde2
|
Merge pull request #48 from garniron/master
fragmentation bug in selection.irp.f
|
2017-02-10 22:12:52 +01:00 |
|
Yann Garniron
|
3fd719ed7e
|
fragmentation bug in selection.irp.f
|
2017-02-10 19:52:44 +01:00 |
|
|
9354d7f5f1
|
Fixed many bugs
|
2017-02-10 03:24:12 +01:00 |
|
|
1bea2ef2d5
|
Fixed selection
|
2017-02-10 01:35:03 +01:00 |
|
|
92d7bbd57e
|
Fixed PT2 stoch: fragments broken
|
2017-02-10 00:50:37 +01:00 |
|
|
67f8fc8e3e
|
Parallelized make_s2_eigenfunction
|
2017-02-09 20:32:00 +01:00 |
|
|
3b935080b4
|
Dummy read in integrals when restart
|
2017-02-08 20:58:18 +01:00 |
|
|
9a7db910d9
|
Fixed distributed Davidson
|
2017-02-08 20:54:15 +01:00 |
|
Emmanuel Giner
|
4e0c71df10
|
density based mrpt2
|
2017-02-06 21:28:01 +01:00 |
|
Emmanuel Giner
|
de209b3fa8
|
pouet
|
2017-02-03 11:51:22 +01:00 |
|
|
20edbbd777
|
More frequent teeth updates
|
2017-02-01 22:25:27 +01:00 |
|
|
245a2a90ed
|
Fixed Travis
|
2017-02-01 21:52:37 +01:00 |
|
|
ca6672c250
|
Removed PUSH/PULL
|
2017-02-01 21:46:20 +01:00 |
|
|
5f2407ce22
|
Fixed Travis warning
|
2017-02-01 21:39:34 +01:00 |
|
|
6ea3216b98
|
Fixed MRCEPA0
|
2017-02-01 21:07:26 +01:00 |
|
Anthony Scemama
|
4a552cc8fe
|
Merge pull request #182 from TApplencourt/master
Support new irp
|
2017-02-01 21:01:13 +01:00 |
|
|
d1507c937a
|
Optimized selection
|
2017-02-01 20:49:21 +01:00 |
|
|
b6b8f7bcba
|
Accelerated selection
|
2017-02-01 18:57:20 +01:00 |
|
|
1dfc8979be
|
Reduced nb of tooth fillings
|
2017-02-01 17:53:53 +01:00 |
|
|
fe5f640346
|
Corrected bug in pt2stoch
|
2017-02-01 17:00:39 +01:00 |
|
|
ca0f0732c2
|
Corrected bug in pt2_find
|
2017-02-01 16:35:47 +01:00 |
|
|
832585a6ca
|
Acceleration of pt2_find
|
2017-02-01 15:17:50 +01:00 |
|
|
848fda1836
|
Fixed n_core
|
2017-02-01 14:15:18 +01:00 |
|
|
17386004bd
|
Acceleration of pt2_find
|
2017-02-01 14:06:57 +01:00 |
|
|
3bbc3980c5
|
Corrected bug in pt2stoch
|
2017-02-01 11:39:59 +01:00 |
|
|
f56246b456
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2017-02-01 11:29:38 +01:00 |
|
|
aac30f9b66
|
Removed PUSH/PULL
|
2017-02-01 11:29:17 +01:00 |
|
Thomas Applencourt
|
693efab41c
|
Update configure
|
2017-01-31 17:09:56 -06:00 |
|
Thomas Applencourt
|
71c7f2619a
|
Missing PROVIDE
|
2017-01-31 16:18:48 -06:00 |
|
Thomas Applencourt
|
78c47519da
|
Missing PROVIDE
|
2017-01-31 16:07:41 -06:00 |
|
Thomas Applencourt
|
c204a890de
|
Missing PROVIDE
|
2017-01-31 16:01:06 -06:00 |
|
Thomas Applencourt
|
22afa1ea56
|
Missing PROVIDE
|
2017-01-31 15:55:28 -06:00 |
|
|
edc3cde211
|
Corrected bug in PT2
|
2017-01-31 21:52:31 +01:00 |
|
|
cdd59910ff
|
Corrected for use with new irpf90
|
2017-01-31 21:48:47 +01:00 |
|
Thomas Applencourt
|
8c1569df31
|
Update configure
|
2017-01-31 14:16:38 -06:00 |
|
|
67fded7d18
|
work on pt2 stoch
|
2017-01-30 20:15:28 +01:00 |
|
|
097083db47
|
Repaired selection
|
2017-01-30 09:38:04 +01:00 |
|
Thomas Applencourt
|
b725005c43
|
Remove irpf90.make in dependency
|
2017-01-26 07:59:28 -06:00 |
|
Thomas Applencourt
|
f7bf046c39
|
TApplencourt IRPF90 -> LCPQ
|
2017-01-26 07:56:16 -06:00 |
|
Thomas Applencourt
|
f850e2ff2b
|
Update dressing.irp.f
|
2017-01-25 20:23:45 -06:00 |
|
Thomas Applencourt
|
1f42b7092a
|
Update selection.irp.f
|
2017-01-25 20:19:34 -06:00 |
|
Thomas Applencourt
|
191df237d7
|
Update selection.irp.f
|
2017-01-25 20:14:11 -06:00 |
|
Thomas Applencourt
|
885ae02458
|
Update sort.irp.f
|
2017-01-25 20:06:48 -06:00 |
|
Thomas Applencourt
|
933efb26f6
|
Update sort.irp.f
|
2017-01-25 19:58:10 -06:00 |
|
|
b08ced8741
|
Simplification
|
2017-01-25 18:52:44 +01:00 |
|
|
9e73ed6b1c
|
Efficient fragmentation
|
2017-01-25 17:42:25 +01:00 |
|
|
27dd2420dd
|
Bugs+fragments
|
2017-01-25 16:24:02 +01:00 |
|
Thomas Applencourt
|
803b48cc64
|
Merge pull request #2 from LCPQ/master
Merge
|
2017-01-19 16:54:41 -06:00 |
|
Thomas Applencourt
|
1056b8172b
|
Update configure
|
2017-01-19 16:39:27 -06:00 |
|