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mirror of https://gitlab.com/scemama/qp_plugins_scemama.git synced 2024-12-23 04:43:38 +01:00
qp_plugins_scemama/devel
2021-07-02 17:46:24 +02:00
..
casscf added the possibility to diagonalize the SXmatrix with Davidson 2021-07-02 17:46:24 +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
fci_complete Complete FCI 2021-06-07 15:15:01 +02:00
general_mrci Added general MRCI 2020-12-15 19:02:38 +01:00
import_integrals Bug fix in import_integrals_mo 2021-03-17 14:54:31 +01:00
mpn Start writing trexio file 2021-05-05 17:15:14 +02:00
qmcchem Estimate cost 2021-06-27 23:45:30 +02:00
svdwf Added abproducts 2021-06-08 15:40:54 +02:00
trexio Forgot file 2021-06-27 15:53:27 +02:00
.gitignore champ module 2019-01-23 17:42:42 +01:00