10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-07 22:53:57 +01:00
Commit Graph

13 Commits

Author SHA1 Message Date
f79d6dd622 Optimized provides in if statements 2014-10-15 15:19:34 +02:00
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
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
f6f111dfff Accelerated SC2 2014-06-04 21:28:43 +02:00
Manu
dbb1a7b7f9 mv pert_sc2.irp.f in Perturbation 2014-06-02 19:35:42 +02:00
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
60faffaae5 Prints in selection 2014-05-31 01:18:02 +02:00
Manu
868ef807bd CISD_SC2 ok, CISD_SC2_selected ok 2014-05-30 18:07:04 +02:00