24 Commits

Author	SHA1	Message	Date
Anthony Scemama	70da3da1cc	Bug in density	2010-06-10 16:53:46 +02:00
Anthony Scemama	e2ba2c91ab	EPLF MCSCF tested => OK !	2010-06-09 15:10:14 +02:00
Anthony Scemama	e0ce68a4b4	Slater rules seem to be OK. testing...	2010-06-04 15:24:54 +02:00
Anthony Scemama	01ef6620cd	EPLF MC OK	2010-05-28 22:08:08 +02:00
Anthony Scemama	0d69dec304	Multideterminant corrected. Bug in MPI?	2010-05-28 18:23:27 +02:00
Anthony Scemama	218e33666a	Test	2010-05-05 13:08:36 +02:00
Anthony Scemama	8c0527d081	cleaner gamma. Need to update doc.	2010-04-29 18:03:04 +02:00
Anthony Scemama	a0eeaf84d3	Improved gamma parameter	2010-04-29 17:15:07 +02:00
Anthony Scemama	cc7163ebd3	Bug in density	2010-04-29 12:59:30 +02:00
Anthony Scemama	4b123d410f	MCSCF density	2010-04-28 16:07:18 +02:00
Anthony Scemama	07b0dacf6c	EPLF acceleration x2	2009-12-22 00:35:27 +01:00
Anthony Scemama	ec34d430dc	75% acceleration	2009-12-22 00:07:34 +01:00
Anthony Scemama	4a6ce8c3d8	Accelerated gaussian product	2009-12-21 23:39:00 +01:00
Anthony Scemama	d105bd8b6e	Added Fortran to_cube	2009-12-10 00:58:43 +01:00
Anthony Scemama	b0556c4f98	Introduced templates	2009-12-09 23:28:19 +01:00
Anthony Scemama	f0689c031a	Merge branch 'master' of ssh://scemama@eplf.git.sourceforge.net/gitroot/eplf/eplf	2009-12-09 09:49:30 +01:00
Anthony Scemama	8fb2d38a3a	Created to_cube program. Not working.	2009-12-09 09:48:50 +01:00
Anthony Scemama	fab6ef7e30	Added to_cube.py	2009-12-04 16:14:23 +01:00
Anthony Scemama	6d29b1d8c9	Improved Makefile and configure	2009-12-04 10:42:19 +01:00
Anthony Scemama	895a341298	Repaired MPI and output grids to EZFIO	2009-11-06 00:27:24 +01:00
Anthony Scemama	6fcf244b85	Lpalacian of density	2009-10-30 10:44:03 +01:00
Anthony Scemama	75ad773cbd	ELF added	2009-10-29 18:57:46 +01:00
Anthony Scemama	3e97da35f5	First working version.	2009-10-12 17:37:07 +02:00
Anthony Scemama	688fe8a722	Preparation for SourceForge	2009-09-29 13:42:56 +02:00