scemama/qp_plugins_scemama
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qp_plugins_scemama/devel
History
Emmanuel Giner 501cc317d6 added the possibility to have a gradient based convergence in casscf
2021-07-02 18:04:05 +02:00
..
casscf
added the possibility to have a gradient based convergence in casscf
2021-07-02 18:04:05 +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