|
1c5db564b2
|
cisd conversion Ha eV, (Q) if n_elec >= 4
|
2023-03-10 17:34:57 +01:00 |
|
|
691d8957dc
|
Changed ci_threshold into save_threshold
|
2021-11-26 12:50:26 +01:00 |
|
|
fbfcc98f41
|
Added save_wavefunction_truncated(ci_threshold)
|
2021-11-25 14:46:20 +01:00 |
|
Emmanuel Giner LCT
|
a659174451
|
cleaned some dirty non ascii character
|
2020-03-31 18:40:20 +02:00 |
|
Emmanuel Giner LCT
|
40239f100c
|
Merge alors
|
2019-10-24 13:56:53 +02:00 |
|
Emmanuel Giner LCT
|
55286d7889
|
improvement in casscf with CISD, CISDTQ and so on
|
2019-07-04 00:40:02 +02:00 |
|
eginer
|
0b3c2804a2
|
added check_sym
|
2019-04-26 17:31:15 +02:00 |
|
|
7521d3da46
|
Folder -> directory
|
2019-01-29 23:10:00 +01:00 |
|
|
dcbce52da1
|
Fixed Davidson
|
2019-01-27 21:58:36 +01:00 |
|
|
24d9745056
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|