LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-19 12:32:34 +01:00
Code Issues Releases Wiki Activity
2,634 Commits 6 Branches 5 Tags 93 MiB
f93cfb8a6f
Commit Graph

2634 Commits

This Branch
This Branch
All Branches
Author SHA1 Message Date
Anthony Scemama
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
Anthony Scemama
b08ced8741 Simplification 2017-01-25 18:52:44 +01:00
Anthony Scemama
9e73ed6b1c Efficient fragmentation 2017-01-25 17:42:25 +01:00
Anthony Scemama
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
Thomas Applencourt
06413b9b59 Update pot_ao_pseudo_ints.irp.f 2017-01-19 16:05:15 -06:00
Thomas Applencourt
f69d458ab6 Update module_handler.py 2017-01-19 16:03:57 -06:00
Thomas Applencourt
9d66d26b8d Delete ifort_knl.cfg 2017-01-19 16:01:38 -06:00
Yann Garniron
ca64c99c38 Merge branch 'master' of https://github.com/scemama/quantum_package 2017-01-18 16:06:48 +01:00
Anthony Scemama
9ef173e058 Amazing new things 2017-01-18 16:06:23 +01:00
Yann Garniron
786be9222e merge with scemama master 2017-01-18 16:02:29 +01:00
Yann Garniron
1045bed51e Forgot pt2_stoch 2017-01-18 15:59:14 +01:00
Yann Garniron
48adebac20 bug correction - fixed zlib link 2017-01-18 15:53:51 +01:00
Yann GARNIRON
042024f424 teeth filling 2017-01-18 08:42:17 +01:00
Thomas Applencourt
6db3da733f Fix 404: Update Zlib Url. 2017-01-17 16:05:18 -06:00
Anthony Scemama
ffe7eb1fae Forgot pt2_stoch.irp.f 2017-01-16 18:51:01 +01:00
Anthony Scemama
9d754cdaee PT2 stoch OK 2017-01-16 18:19:00 +01:00
Anthony Scemama
2fe656d418 Cochonneries 2017-01-16 16:31:49 +01:00
Yann Garniron
e93cd9cf32 results given during iteration 2017-01-16 14:05:24 +01:00
Anthony Scemama
89154c665a Merge branch 'garniron-master' into develop 2017-01-13 13:20:26 +01:00
Anthony Scemama
252e604e7b Dos2Unix 2017-01-13 13:18:59 +01:00
Anthony Scemama
4b6d2f0d03 Added more elements to print_mo 2017-01-13 13:15:51 +01:00
Yann Garniron
4908a68983 fixed fragmentation 2017-01-13 08:15:36 +01:00
Yann Garniron
28f1c57697 removed single selection 2017-01-12 17:34:42 +01:00
Yann Garniron
414a798168 merge with MASTER 2017-01-12 16:48:34 +01:00
Yann Garniron
9e11ebdc72 Merge branch 'master' of https://github.com/scemama/quantum_package into scemama-master 
Conflicts:
	plugins/Full_CI_ZMQ/selection_double.irp.f
	src/Davidson/diagonalization_hs2.irp.f
 2017-01-12 16:19:39 +01:00
Yann Garniron
c525fddf44 forgot file 2017-01-12 15:46:10 +01:00
Yann Garniron
fb1fa1af38 hard-coded fragmentation of first generators 2017-01-12 15:09:27 +01:00
Anthony Scemama
3979677a82 MRSC2 no amplitudes 2017-01-11 15:04:00 +01:00
Yann Garniron
6881056eaf pt2 slave 2017-01-05 15:27:05 +01:00
Yann Garniron
5f21ec66e2 working 2017-01-04 14:44:18 +01:00
Yann Garniron
d1e52144d3 bias at long runtime 2017-01-04 13:41:37 +01:00
Anthony Scemama
8832b28ac9 Corrected tests 2017-01-04 12:21:29 +01:00
Anthony Scemama
67baa43bc4 Merge pull request #47 from LCPQ/master 
Merge LCPQ
 2017-01-04 12:07:52 +01:00
Yann Garniron
e1d014aa41 init 2017-01-04 10:06:41 +01:00
Anthony Scemama
bdd71bcaff Merge pull request #179 from barrymoo/allow_non-default_opamroot 
Allow for non-default OPAMROOT locations
 2017-01-04 09:53:42 +01:00
Thomas Applencourt
66dea5e7b8 Corrected OPAM_PATH 2017-01-03 19:29:09 -06:00