|
|
4855837019
|
tput init -> tput sgr0
|
2015-11-27 09:37:16 +01:00 |
|
|
|
281c6aae33
|
Added tput after vim
|
2015-11-27 09:20:28 +01:00 |
|
Thomas Applencourt
|
11c0013992
|
Autobuild qp_edit.ml
|
2015-04-02 14:46:24 +02:00 |
|
Thomas Applencourt
|
951a4e35e0
|
CISD (SC)^2 into CISD (SC)^2 SELECTED cause is the name of the module
|
2015-03-31 09:33:16 +02:00 |
|
Thomas Applencourt
|
e9665c276c
|
Add cisd_sc2_selected to qp_edit
|
2015-03-30 17:56:17 +02:00 |
|
|
|
e37bc2c15f
|
Added -c option in qp_edit to only check input.
|
2015-02-23 14:26:12 +01:00 |
|
|
|
e93477c205
|
Better qp_edit.ml for errors in determinants
|
2015-01-08 00:19:51 +01:00 |
|
|
|
e3fff202b8
|
Added MD5 key in AOs for check in MOs
|
2014-12-26 00:17:34 +01:00 |
|
|
|
4f630520d1
|
Added sorting with 3 1st electrons
|
2014-11-28 19:50:48 +01:00 |
|
|
|
0b40cf663a
|
Improved qp_edit
|
2014-11-27 23:05:26 +01:00 |
|
|
|
a700718078
|
qp_edit fails better
|
2014-11-12 17:17:44 +01:00 |
|
|
|
680247792d
|
Add documentation to extend qp_edit
|
2014-11-12 11:25:13 +01:00 |
|
|
|
8e55dc9f33
|
Added Hartree_fock to qp_edit
|
2014-11-12 10:34:54 +01:00 |
|
|
|
fbebdca621
|
Added Full_CI to qp_edit
|
2014-11-12 10:27:04 +01:00 |
|
|
|
bab7aac3a8
|
Write electrons with qp_edit
|
2014-11-04 00:39:10 +01:00 |
|
|
|
2e895b85a4
|
Input_determinants is written by qp_edit
|
2014-11-03 23:08:46 +01:00 |
|
|
|
323144e9e4
|
Input_cisd_sc2 is written by qp_edit
|
2014-11-03 22:42:39 +01:00 |
|
|
|
a6d2892ab7
|
Input_bi_ints is written by qp_edit
|
2014-11-03 22:33:32 +01:00 |
|
|
|
f9fe342c58
|
Input_nuclei is written by qp_edit
|
2014-11-03 22:24:40 +01:00 |
|
|
|
1ffc72cc79
|
Working on qp_edit...
|
2014-11-03 19:33:06 +01:00 |
|
|
|
beb5e55481
|
Introduces Rst_string type
|
2014-10-29 22:13:03 +01:00 |
|
|
|
62d3de35a2
|
Printing of xyz in qp_edit
|
2014-10-29 18:55:31 +01:00 |
|
|
|
b74a8f1035
|
Working on qp_edit
|
2014-10-29 00:12:45 +01:00 |
|
|
|
82a285774c
|
Bug in psi_det N_det psi_coef
|
2014-10-28 17:16:51 +01:00 |
|
|
|
6998c27b6e
|
Improved AO basis printing
|
2014-10-26 12:46:17 +01:00 |
|
