18 Commits

Author	SHA1	Message	Date
Anthony Scemama	72c8a93249	Corrected NEEDED_MODULES	2014-10-09 10:36:29 +02:00
Anthony Scemama	34d81fc372	MO to AO and AO to MO subroutines	2014-10-03 15:24:04 +02:00
Anthony Scemama	563a8bea4d	Added xyz types in symmetry (ocaml)	2014-08-27 16:38:13 +02:00
Anthony Scemama	9bffc0883b	Added molecule in ocaml	2014-08-24 20:00:26 +02:00
Anthony Scemama	a451a89e5a	Accelerated selection using dichotomy	2014-06-02 15:18:45 +02:00
Anthony Scemama	cff9652d79	Moved all SC2 stuff to SC2 directory	2014-06-02 10:45:32 +02:00
Manu	868ef807bd	CISD_SC2 ok, CISD_SC2_selected ok	2014-05-30 18:07:04 +02:00
Anthony Scemama	1ba8f49949	Corrected bugs	2014-05-28 23:12:00 +02:00
Anthony Scemama	9897ba6c19	CISD selection + MP2 clean	2014-05-27 17:30:44 +02:00
Anthony Scemama	64a14b52e9	Selection and perturbation work. Introduced new tests.	2014-05-24 02:39:18 +02:00
Anthony Scemama	a345c0ce31	Dangerous commit	2014-05-21 16:37:54 +02:00
Anthony Scemama	80f863ef3a	Accelerated Davidson	2014-05-17 14:20:55 +02:00
Anthony Scemama	b02cfe8dc3	CISD OK	2014-05-13 13:57:58 +02:00
Anthony Scemama	0764aa259d	Added Mono Integrals. Works in openMP	2014-04-16 22:16:32 +02:00
Anthony Scemama	726ee68187	MO SCF iterations	2014-04-15 10:44:22 +02:00
Anthony Scemama	01aae7bf4d	Added README.rst in all directories	2014-04-03 16:23:27 +02:00
Anthony Scemama	ef42d6ebc4	Simplified Makefiles	2014-04-03 13:59:51 +02:00
Anthony Scemama	f9f3fac7ff	Make all_modules and all_clean compiles in parallel. Added NEEDED_MODULES	2014-04-03 11:19:41 +02:00