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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 04:43:50 +01:00
Commit Graph

2250 Commits

Author SHA1 Message Date
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
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
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
ffe7eb1fae Forgot pt2_stoch.irp.f 2017-01-16 18:51:01 +01:00
9d754cdaee PT2 stoch OK 2017-01-16 18:19:00 +01:00
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
89154c665a Merge branch 'garniron-master' into develop 2017-01-13 13:20:26 +01:00
252e604e7b Dos2Unix 2017-01-13 13:18:59 +01:00