|
c2cbe390e1
|
Fixed ddcc1a5
|
2017-06-26 20:59:59 +02:00 |
|
|
ed18b3a103
|
Fixed Travis
|
2017-05-03 22:32:17 +02:00 |
|
|
ce10c5052c
|
Travis bug
|
2017-05-03 21:15:54 +02:00 |
|
|
8288437ae6
|
Improved CASSD and FCI
|
2017-05-03 19:23:12 +02:00 |
|
|
592f978e62
|
Fixed bugs with correlation_energy_ratio
|
2017-05-02 16:46:31 +02:00 |
|
|
23d7794109
|
Cleaned correlation_energy_ratio_max
|
2017-04-21 23:14:38 +02:00 |
|
|
9d2c209c05
|
target_pt2_ratio_cassd.irp.f
|
2017-02-14 15:44:39 +01:00 |
|
|
8348862975
|
More applications of H in fci_zmq
|
2016-12-12 14:22:52 +01:00 |
|
|
ca9d34864b
|
threshold davidson = thres * 100
|
2016-12-05 09:28:04 +01:00 |
|
|
d45d53be71
|
Trying Multi-state
|
2016-12-01 16:28:56 +01:00 |
|
|
bc1e564f17
|
Fixed Travis
|
2016-11-30 18:07:14 +01:00 |
|
|
4ab7c939e9
|
Better load balancing in fci and cassd
|
2016-11-16 14:00:51 +01:00 |
|
|
80d0a9420e
|
Corrected some bugs in MRCC
|
2016-11-14 23:57:23 +01:00 |
|
|
9a9c5037bb
|
Fixed tests
|
2016-11-14 20:43:42 +01:00 |
|
|
5e1b077576
|
CAS_SD_ZMQ works with is_in_wavefunction
|
2016-11-14 17:41:30 +01:00 |
|
|
8ef4332406
|
Introduced CASSD ZMQ
|
2016-11-14 15:50:28 +01:00 |
|