22 Commits

Author	SHA1	Message	Date
Anthony Scemama	15082646ca	Acceleration of multi-det	2011-02-11 09:11:15 +01:00
Anthony Scemama	dad4163808	Improved AO overlap	2010-10-27 18:16:57 +02:00
Anthony Scemama	b638782709	Improved interface for G09	2010-10-08 14:42:35 +02:00
Anthony Scemama	445316803d	Improved documentation	2010-07-16 17:50:42 +02:00
Anthony Scemama	b5172e33ae	corrected to_ezfio.exe	2010-06-30 10:12:00 +02:00
Anthony Scemama	55b17c0384	Removed q5cost from to_ezfio.exe	2010-06-29 14:03:39 +02:00
Anthony Scemama	b92517db0b	Improved input	2010-06-22 12:53:29 +02:00
Anthony Scemama	919c59a86f	Added input wrapper	2010-06-22 12:35:25 +02:00
Anthony Scemama	5444388a05	Bug natural orbitals GAMESS	2010-06-11 13:17:33 +02:00
Anthony Scemama	e2ba2c91ab	EPLF MCSCF tested => OK !	2010-06-09 15:10:14 +02:00
Anthony Scemama	f19db06333	Bug in interface	2010-05-27 18:11:19 +02:00
Anthony Scemama	218e33666a	Test	2010-05-05 13:08:36 +02:00
Anthony Scemama	4b123d410f	MCSCF density	2010-04-28 16:07:18 +02:00
Anthony Scemama	2f01a127e7	Add stand-alone to_ezfio.exe	2010-02-25 15:27:39 +01:00
Anthony Scemama	32c57a20d5	Bug	2010-02-25 15:18:15 +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	fab6ef7e30	Added to_cube.py	2009-12-04 16:14:23 +01:00
Anthony Scemama	38ade7947e	Bug in to_ezfio	2009-12-04 11:17:44 +01:00
Anthony Scemama	e662517974	Bug in to_ezfio.py	2009-12-04 11:14:58 +01:00
Anthony Scemama	3e97da35f5	First working version.	2009-10-12 17:37:07 +02:00
Anthony Scemama	70c3eba68c	Added eplf_input	2009-06-19 11:38:34 +02:00