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casscf
|
minor modifs in casscf
|
2021-07-22 23:31:08 +02:00 |
|
cassdtq
|
Added class.irp.f
|
2019-10-01 13:02:52 +02:00 |
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cc
|
Added svdwf module
|
2020-09-30 20:44:53 +02:00 |
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dmc_dress
|
Add dress.py
|
2021-07-31 03:19:16 +02:00 |
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fci_complete
|
Add dmc_dress
|
2021-07-28 17:24:03 +02:00 |
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general_mrci
|
Added general MRCI
|
2020-12-15 19:02:38 +01:00 |
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import_integrals
|
Bug fix in import_integrals_mo
|
2021-03-17 14:54:31 +01:00 |
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mpn
|
Start writing trexio file
|
2021-05-05 17:15:14 +02:00 |
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qmcchem
|
Estimate cost
|
2021-06-27 23:45:30 +02:00 |
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svdwf
|
Merge branch 'master' into 'master'
|
2021-07-31 09:07:58 +00:00 |
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symmetry
|
Added symmetry plugin
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2021-07-12 14:14:26 +02:00 |
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trexio
|
Fixed normalization in trexio
|
2021-08-24 15:14:29 +02:00 |
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.gitignore
|
champ module
|
2019-01-23 17:42:42 +01:00 |
