22 Commits

Author	SHA1	Message	Date
Anthony Scemama	5c957cf1f2	Merged eginer-master	2015-03-19 21:14:52 +01:00
Anthony Scemama	39bf2889ce	Removed memory bottleneck in CISD SC2	2015-03-19 14:08:26 +01:00
Anthony Scemama	17d7bda91c	Cleaned output of CISD SC2	2015-03-17 22:39:11 +01:00
Anthony Scemama	9676f62674	A lot of cleaning. Removed CIS_dressed.	2015-01-15 14:00:00 +01:00
Manu	8718f5fd35	minor changes	2014-10-06 15:49:16 +02:00
Manu	1229781220	Bug in map_integrals.irp.d fixed	2014-08-21 11:14:30 +02:00
Manu	8a966ed732	Bug fixed in perturbation_projected_sc2	2014-08-16 19:00:29 +02:00
Manu	6f805d17d5	CISD_SC2_selection with n_det_max_cisd_sc2, pt2_max and do_pt2_end	2014-08-16 16:06:27 +02:00
Anthony Scemama	590c5628e4	setup_environment.sh bug solved	2014-07-28 14:09:55 +02:00
Anthony Scemama	0fb0b9e2ec	Put do_mono/diexcitations in generate_h_apply.py	2014-06-20 15:23:04 +02:00
Manu	09b43e57e0	add CID, CID_selected, CID_SC2_selected, just for fun ...	2014-06-11 00:44:07 +02:00
Manu	4896d1cc8a	Merge branch 'master' of github.com:LCPQ/quantum_package	2014-06-06 16:22:59 +02:00
Manu	503cea9378	add threshold_convergence_SC2	2014-06-06 16:22:54 +02:00
Anthony Scemama	103a3d92f4	Acceleration for single ref methods	2014-06-06 16:19:14 +02:00
Manu	0f8f18497e	Merge branch 'master' of github.com:LCPQ/quantum_package ... Conflicts: src/CISD_SC2_selected/cisd_sc2_selection.irp.f	2014-06-05 02:46:36 +02:00
Manu	f985e07211	Better selection	2014-06-05 02:45:31 +02:00
Anthony Scemama	f6f111dfff	Accelerated SC2	2014-06-04 21:28:43 +02:00
Manu	9e76f5396b	mv SC2.irp.f diagonalize_CI_SC2.irp.f	2014-06-02 19:06:04 +02:00
Anthony Scemama	cff9652d79	Moved all SC2 stuff to SC2 directory	2014-06-02 10:45:32 +02:00
Manu	04bf05d8ad	CISD_SC2_selected works better, new pertrubation sc2, better selection	2014-06-01 22:03:26 +02:00
Manu	3bf8f853f1	add NEEDED_MODULES in CISD_SC2	2014-05-31 11:35:44 +02:00
Manu	868ef807bd	CISD_SC2 ok, CISD_SC2_selected ok	2014-05-30 18:07:04 +02:00