2814 Commits

This Branch

This Branch

All Branches

Author	SHA1	Message	Date
Anthony Scemama	3b935080b4	Dummy read in integrals when restart	2017-02-08 20:58:18 +01:00
Anthony Scemama	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
Anthony Scemama	20edbbd777	More frequent teeth updates	2017-02-01 22:25:27 +01:00
Anthony Scemama	245a2a90ed	Fixed Travis	2017-02-01 21:52:37 +01:00
Anthony Scemama	ca6672c250	Removed PUSH/PULL	2017-02-01 21:46:20 +01:00
Anthony Scemama	5f2407ce22	Fixed Travis warning	2017-02-01 21:39:34 +01:00
Anthony Scemama	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
Anthony Scemama	d1507c937a	Optimized selection	2017-02-01 20:49:21 +01:00
Anthony Scemama	b6b8f7bcba	Accelerated selection	2017-02-01 18:57:20 +01:00
Anthony Scemama	1dfc8979be	Reduced nb of tooth fillings	2017-02-01 17:53:53 +01:00
Anthony Scemama	fe5f640346	Corrected bug in pt2stoch	2017-02-01 17:00:39 +01:00
Anthony Scemama	ca0f0732c2	Corrected bug in pt2_find	2017-02-01 16:35:47 +01:00
Anthony Scemama	832585a6ca	Acceleration of pt2_find	2017-02-01 15:17:50 +01:00
Anthony Scemama	848fda1836	Fixed n_core	2017-02-01 14:15:18 +01:00
Anthony Scemama	17386004bd	Acceleration of pt2_find	2017-02-01 14:06:57 +01:00
Anthony Scemama	3bbc3980c5	Corrected bug in pt2stoch	2017-02-01 11:39:59 +01:00
Anthony Scemama	f56246b456	Merge branch 'master' of github.com:scemama/quantum_package	2017-02-01 11:29:38 +01:00
Anthony Scemama	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
Anthony Scemama	edc3cde211	Corrected bug in PT2	2017-01-31 21:52:31 +01:00
Anthony Scemama	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
Anthony Scemama	67fded7d18	work on pt2 stoch	2017-01-30 20:15:28 +01:00
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