LCPQ/qp2
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2,118 Commits 30 Branches 18 Tags 80 MiB
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10 Commits

Author SHA1 Message Date
Anthony Scemama
d4d4393956 cas_ful -> cas_full
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2023-11-11 16:13:23 +01:00
Anthony Scemama
cfd0c87505 Added script to import CHAMP Jastrow
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2023-09-26 13:59:03 +02:00
Anthony Scemama
a493e15110 Fix int64 overflow in qp_import_trexio
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2023-09-25 14:26:43 +02:00
Anthony Scemama
2c6bdd9bb9 Update EZFIO, and qp_import_trexio for UHF 2023-09-22 16:25:56 +02:00
Anthony Scemama
bb80a3c2a2 Minor fix in trexio import 2023-08-25 09:37:05 +02:00
Anthony Scemama
4cc8dae420 Improve 5idx
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2023-06-02 20:32:31 +02:00
Anthony Scemama
3306d26e0e Fix import_trexio
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2023-05-31 11:47:53 +02:00
Anthony Scemama
f0ad63966a Fixes for numerical orbitals in qp_import
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2023-05-30 22:08:40 +02:00
Anthony Scemama
6289508c1e Swapped indices in CCSD(T) 2023-05-13 13:54:24 +02:00
Anthony Scemama
b8804f058a Moved qp_import_trexio.py 2023-05-12 21:38:01 +02:00