LCPQ/qp2
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5 Commits

Author SHA1 Message Date
Anthony Scemama
976c5aeb5e Add a few functions for spherical/cartesian arrays 2025-03-21 23:13:55 +01:00
Anthony Scemama
4b9939e738 Fix qp_exc_energy.py:195: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated 2025-02-03 13:41:46 +01:00
Anthony Scemama
f9fdd1effd python -> python3 2023-08-21 14:54:41 +02:00
Anthony Scemama
f314c5abc2 Added qp_json 2023-05-10 11:14:57 +02:00
Anthony Scemama
64bfddbb00 Renamed scripts/exc_energy_error.py scripts/qp_exc_energy.py
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2023-04-24 10:48:21 +02:00