Emmanuel Giner 90e9d4bf7e casscf works with full integral transformation

2021-06-30 18:31:03 +02:00

..

casscf

casscf works with full integral transformation

2021-06-30 18:31:03 +02:00

cassdtq

Added class.irp.f

2019-10-01 13:02:52 +02:00

cc

Added svdwf module

2020-09-30 20:44:53 +02:00

general_mrci

Added general MRCI

2020-12-15 19:02:38 +01:00

import_integrals

ne - en

2020-03-24 09:33:51 +01:00

qmcchem

Added QMCChem module

2019-07-23 15:12:25 +02:00

svdwf

OpenMP in random svd

2020-09-30 21:20:45 +02:00

.gitignore

champ module

2019-01-23 17:42:42 +01:00