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mirror of https://github.com/LCPQ/quantum_package synced 2024-11-19 20:42:41 +01:00
Commit Graph

2366 Commits

Author SHA1 Message Date
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
Thomas Applencourt
3ddebd1892 Update configure 2017-01-19 16:31:46 -06:00
Thomas Applencourt
44ccc24e72 Restaure map_module.f90 2017-01-19 16:29:50 -06:00
Thomas Applencourt
64f0869486 Merge pull request #1 from LCPQ/master
Merge...
2017-01-19 16:10:58 -06:00
Thomas Applencourt
6185049a20 Merge branch 'master' into master 2017-01-19 16:10:32 -06:00
Thomas Applencourt
6d37f3202d Update map_module.f90 2017-01-19 16:06:54 -06:00