19 Commits

Author	SHA1	Message	Date
Anthony Scemama	711c7ce5e3	Minor bugs	2012-09-21 11:18:49 +02:00
Anthony Scemama	32af225063	Bug in max size of density matrix	2012-06-01 11:23:54 +02:00
Anthony Scemama	8a1c7a03a8	Bugs	2012-05-31 22:43:06 +02:00
Anthony Scemama	57f3d60e52	Bug	2011-05-28 10:56:18 +02:00
Anthony Scemama	f37354d98c	Acceleration with a large number of dets	2011-05-25 09:47:00 +02:00
Anthony Scemama	2b22d66cef	Bug	2011-03-30 19:40:29 +02:00
Anthony Scemama	f6ad2c1a29	Bug	2011-03-23 16:25:48 +01:00
Anthony Scemama	d4607cc3f9	Checkpoint of density matrices	2011-03-23 15:49:40 +01:00
Anthony Scemama	fdaaa4cfe0	One-electron density matrix OK + Bug corrected for phase factors	2011-03-23 13:46:05 +01:00
Anthony Scemama	cd0cc7b1a5	Introduced second order density matrix	2011-02-14 12:04:15 +01:00
Anthony Scemama	15082646ca	Acceleration of multi-det	2011-02-11 09:11:15 +01:00
Anthony Scemama	6dfe81c8bc	Acceleration	2010-12-17 12:03:50 +01:00
Anthony Scemama	921e8429cd	Acceleration	2010-12-17 11:31:05 +01:00
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	0d69dec304	Multideterminant corrected. Bug in MPI?	2010-05-28 18:23:27 +02:00
Anthony Scemama	4b123d410f	MCSCF density	2010-04-28 16:07:18 +02:00
Anthony Scemama	6d29b1d8c9	Improved Makefile and configure	2009-12-04 10:42:19 +01:00
Anthony Scemama	3e97da35f5	First working version.	2009-10-12 17:37:07 +02:00