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casscf
|
minor modifs in casscf
|
2021-07-22 23:31:08 +02:00 |
|
cassdtq
|
Minor changes
|
2022-05-25 14:58:35 +02:00 |
|
cc
|
Removed debug in trexio
|
2022-12-31 12:48:26 +01:00 |
|
dmc_dress
|
Initial tests
|
2022-03-11 15:49:43 +01:00 |
|
fci_complete
|
TREXIO
|
2023-04-24 01:42:04 +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
|
TREXIO
|
2023-04-24 01:42:04 +02:00 |
|
qmcchem
|
Added export_trexio routine
|
2023-03-09 10:50:44 +01:00 |
|
svdwf
|
Merge branch 'master' into 'master'
|
2021-07-31 09:07:58 +00:00 |
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symmetry
|
Added symmetry plugin
|
2021-07-12 14:14:26 +02:00 |
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trexio
|
Added cholesky vectors in export
|
2023-05-04 14:31:49 +02:00 |
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.gitignore
|
champ module
|
2019-01-23 17:42:42 +01:00 |
