13 Commits

Author	SHA1	Message	Date
Anthony Scemama	ce07d1dc50	Bug in density	2012-03-08 13:10:33 +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	921e8429cd	Acceleration	2010-12-17 11:31:05 +01:00
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	0d69dec304	Multideterminant corrected. Bug in MPI?	2010-05-28 18:23:27 +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	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	688fe8a722	Preparation for SourceForge	2009-09-29 13:42:56 +02:00