|
0336738109
|
Working on fast integrals
|
2019-07-05 18:50:22 +02:00 |
|
|
932befb2bb
|
Properly ordered natural MOs
|
2019-07-04 00:22:44 +02:00 |
|
|
4445ac6c60
|
Merge branch 'casscf' of github.com:QuantumPackage/qp2 into casscf
|
2019-06-28 01:16:12 +02:00 |
|
|
82bbf95fea
|
Fixed small bugs
|
2019-06-27 23:46:30 +02:00 |
|
|
92e44f53ba
|
Fixed small bugs
|
2019-06-27 23:06:35 +02:00 |
|
|
a128c20afa
|
CASSCF works
|
2019-06-26 00:58:17 +02:00 |
|
|
5902f3231e
|
Cleaned neworbs
|
2019-06-26 00:23:23 +02:00 |
|
|
6531181316
|
More cleaning
|
2019-06-25 19:10:50 +02:00 |
|
|
328ab2dadf
|
All programs merged. Iterations not working
|
2019-06-24 17:03:27 +02:00 |
|
|
d29f82c080
|
CAS-CI and wdens merged
|
2019-06-24 16:42:16 +02:00 |
|
|
2f340f4841
|
CAS-CI with no vvvv
|
2019-06-24 15:32:26 +02:00 |
|