LCPQ/qp2
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1,733 Commits 30 Branches 18 Tags 80 MiB
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6 Commits

Author SHA1 Message Date
Anthony Scemama
ff5d62f840 Fix normalization factor in trexio 2023-05-31 11:01:51 +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
b8804f058a Moved qp_import_trexio.py 2023-05-12 21:38:01 +02:00
Anthony Scemama
6d1cf74e09 Added NEED in trexio
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2023-05-12 19:58:15 +02:00
Anthony Scemama
a2627e7925 Introduced TREXIO in QP 2023-05-12 16:04:45 +02:00
Anthony Scemama
4959882293 Added TREXIO module 2023-05-11 22:48:48 +02:00