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Commit Graph

11 Commits

Author SHA1 Message Date
8e0a9be9ad Add metadata to TREXIO 2024-04-05 14:25:45 +02:00
df9299c661 Updated documentation 2024-03-20 16:06:44 +01:00
590463063f Adapted trexio file for full path 2024-03-05 15:37:09 +01:00
b25489e14c Fix modifying determinants before mo_label exists
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2023-11-27 14:25:05 +01:00
1e12eba42b Changed how libraries are handled 2023-09-19 14:43:42 +02:00
ff5d62f840 Fix normalization factor in trexio 2023-05-31 11:01:51 +02:00
f0ad63966a Fixes for numerical orbitals in qp_import
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2023-05-30 22:08:40 +02:00
b8804f058a Moved qp_import_trexio.py 2023-05-12 21:38:01 +02:00
6d1cf74e09 Added NEED in trexio
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2023-05-12 19:58:15 +02:00
a2627e7925 Introduced TREXIO in QP 2023-05-12 16:04:45 +02:00
4959882293 Added TREXIO module 2023-05-11 22:48:48 +02:00