36 Commits

Author	SHA1	Message	Date
Anthony Scemama	98f3692f4c	Merged scemama-master	2017-04-20 19:18:16 +02:00
TApplencourt	90418ec728	Working pseudo	2016-11-08 15:29:35 -06:00
Anthony Scemama	dd60cda0ee	--amend	2016-09-22 12:15:20 +02:00
TApplencourt	1969a463fe	Some modif for the interface with qmcpack	2016-01-14 15:18:31 +01:00
Anthony Scemama	5470e05913	Added target_pt2_qmc	2015-10-19 17:28:08 +02:00
Anthony Scemama	1363b436e3	Accelerated pseudopotentials	2015-10-16 14:33:57 +02:00
Anthony Scemama	dc3cfb9dbd	English	2015-10-06 15:33:11 +02:00
Anthony Scemama	8b8946f1e3	OpenMP reduction bug for large systems solved	2015-09-22 13:05:42 +02:00
Anthony Scemama	6476d432be	Added EZFIO.cfg for CISD	2015-09-22 09:47:07 +02:00
Thomas Applencourt	1c35435ea6	Fixing doc in double	2015-07-28 17:18:45 +02:00
Thomas Applencourt	97c0dcf40b	Fix qp_install_module	2015-07-28 17:02:00 +02:00
Thomas Applencourt	b97e337f4b	Refortorisation of update_readme	2015-07-28 16:45:45 +02:00
Anthony Scemama	05124ab5d4	Cleaned MRCC in MRCC_Utils	2015-07-13 18:00:38 +02:00
Anthony Scemama	58ada7058f	Sort gitignore to avoid stupid conflicts	2015-07-04 00:11:06 +02:00
Manu	12e81de1c7	MRCC converges with tiny matrixes	2015-07-03 19:19:44 +02:00
Thomas Applencourt	39aca82195	Modify gitignore	2015-06-25 16:52:08 +02:00
Anthony Scemama	0cae555dc1	Cleaned aux_basis bug	2015-06-22 10:44:18 +02:00
Thomas Applencourt	93eafd009d	Update the EZFIO.cfg with the new keyword	2015-06-18 15:04:44 +02:00
Thomas Applencourt	2ecacdd18e	Realy fix the readme... Maybe to mush	2015-06-04 12:15:54 +02:00
Thomas Applencourt	23921b3e08	Add mising tree	2015-06-04 12:10:48 +02:00
Thomas Applencourt	30df5835a1	update_readme.py and so one	2015-06-04 12:09:28 +02:00
Thomas Applencourt	81ca7f2545	Remove ASSUMPTIONS.rst. Put it direcly in README.rst	2015-06-04 11:17:01 +02:00
Thomas Applencourt	be114d1d88	BYE BYE MAKEFILE ninja !	2015-06-03 17:52:41 +02:00
Thomas Applencourt	e99034d3f9	Try to merge...	2015-06-03 14:03:11 +02:00
Thomas Applencourt	8bf723dcfc	Mega cleaning.	2015-06-02 18:17:59 +02:00
Thomas Applencourt	7396f2985f	Modify some file	2015-06-02 15:47:24 +02:00
Thomas Applencourt	ba49beff36	Remove makefile.depend dependancy !	2015-05-27 11:02:13 +02:00
Anthony Scemama	1e12737e0e	Changed pseudo_ao in EZFIO	2015-05-26 21:37:17 +02:00
Thomas Applencourt	af1acde61f	Add Update_readme to ninja	2015-05-26 17:43:43 +02:00
Anthony Scemama	e50e967018	Added Davidson in MRCC	2015-05-21 10:15:13 +02:00
Anthony Scemama	7c0fd00c1f	Added module DensityFit	2015-05-13 22:53:26 +02:00
Thomas Applencourt	1a634b4ed2	Change image name, add image in README.rst, and add Graphviz in dependancy	2015-05-12 10:39:49 +02:00
Thomas Applencourt	5777753d6b	Add all.png to git	2015-05-12 10:05:20 +02:00
Anthony Scemama	e438d8582b	Removed Output module	2015-05-11 19:41:56 +02:00
Anthony Scemama	0c9d9b50dd	Move do_pseudo	2015-05-11 15:50:39 +02:00
Thomas Applencourt	78bbef97fc	Add missing file	2015-05-11 14:45:37 +02:00