|
|
7be923f801
|
Davidson N_states_diag incrementing
|
2018-05-30 13:46:48 +02:00 |
|
|
|
de1791f9d6
|
Find_pi_space updated
|
2018-05-25 14:47:05 +02:00 |
|
|
|
dbe2e997f9
|
qp_set_frozen_core is deactivated with pseudos
|
2018-05-25 14:18:53 +02:00 |
|
|
|
600c82c021
|
python2
|
2018-04-30 18:43:32 +02:00 |
|
|
|
5e7d914f4d
|
Added -q to qp_set_frozen_core
|
2016-09-09 19:31:30 +02:00 |
|
|
|
b6d8531583
|
Accelerated S^2
|
2015-07-14 01:06:28 +02:00 |
|
Thomas Applencourt
|
e0f360084e
|
QPACKAGE_ROOT => QP_ROOT =D
|
2015-06-08 14:49:10 +02:00 |
|
|
|
3515cf953b
|
Better estimated PT2
|
2015-03-16 18:30:38 +01:00 |
|
|
|
3529950720
|
qp_set_frozen_core.py accepts 0 core MOs
|
2015-02-23 14:26:07 +01:00 |
|
|
|
62bdc4948a
|
Added qp_set_frozen_core.py
|
2015-01-23 17:32:31 +01:00 |
|
