33 Commits

Author	SHA1	Message	Date
Emmanuel Giner	edd9add59f	fixed bug in FOBOSCF	2019-06-28 00:16:47 +02:00
Emmanuel Giner	ef85dcd5b1	FOBOCI compiles	2019-06-27 23:38:05 +02:00
Anthony Scemama	87109fb96b	Fixed EZFIO	2019-02-05 21:59:26 +01:00
Anthony Scemama	f93cfb8a6f	Revert 4idx	2017-12-08 16:17:54 +01:00
Anthony Scemama	12295ce7c0	Removed aligns	2017-11-27 10:58:32 +01:00
Emmanuel Giner	b447da300e	Modifs Manus	2017-10-27 12:20:00 +02:00
Anthony Scemama	98f3692f4c	Merged scemama-master	2017-04-20 19:18:16 +02:00
Anthony Scemama	a2750bb55c	Revert "merge with main branch"	2017-04-20 08:48:06 +02:00
Anthony Scemama	1d6593a288	pedantic changes	2017-04-12 19:29:21 +02:00
Anthony Scemama	a3e2292b8e	Merge with Dr. Giner	2016-11-02 21:46:12 +01:00
Emmanuel Giner	d13853691a	conflicts minimized for merge	2016-11-02 17:39:39 +01:00
Emmanuel Giner	124d918021	forgotten files	2016-11-02 16:01:01 +01:00
Emmanuel Giner	82a29d5603	no vvv integrals is ok	2016-10-11 19:03:23 +02:00
Anthony Scemama	dd60cda0ee	--amend	2016-09-22 12:15:20 +02:00
Emmanuel Giner	8aebbd02cc	New PT2 with dressed matrix is working on H2	2016-08-30 14:10:52 +02:00
Emmanuel Giner	a0d5869054	Modifs of fobo-scf	2016-07-16 16:09:50 +02:00
Emmanuel Giner	e50cfeee02	Integration for DFT seems to be ok, but need to improve the angular part	2016-04-21 23:59:50 +02:00
Emmanuel Giner	83f77b61c8	Two body dm implemented	2016-04-18 20:49:49 +02:00
Emmanuel Giner	ac8e530372	FOBO-SCF executable works	2016-03-11 23:27:39 +01:00
Emmanuel Giner	27a121bc1b	added print_hcc and OVB plugin	2016-02-17 10:52:57 +01:00
Emmanuel Giner	19e276fc0d	added the mulliken and hyperfine coupling constants analysis	2016-02-16 18:32:53 +01:00
Anthony Scemama	5470e05913	Added target_pt2_qmc	2015-10-19 17:28:08 +02:00
Anthony Scemama	dc3cfb9dbd	English	2015-10-06 15:33:11 +02:00
Thomas Applencourt	006c28f4ee	Fix error in doc path	2015-07-28 17:31:54 +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
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
Thomas Applencourt	4205e42820	Fix maj tree	2015-06-24 10:51:49 +02:00
Thomas Applencourt	93eafd009d	Update the EZFIO.cfg with the new keyword	2015-06-18 15:04:44 +02:00
Thomas Applencourt	6a91e63cf3	Move into plugins	2015-06-17 18:23:56 +02:00