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9c1f811800
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Fixed representations in spherical AOs
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2025-03-20 12:14:31 +01:00 |
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854b917735
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Fixed guess
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2025-03-19 17:15:26 +01:00 |
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b5543cb37a
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Introduced ao_sphe_num
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2025-03-14 22:34:49 +01:00 |
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8ae207b343
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Implemented cartesian -> spherical AO conversion
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2025-03-14 18:11:37 +01:00 |
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d84edaad5f
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Fix ao_sphe_overlap
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2025-03-13 14:36:24 +01:00 |
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88cffcb269
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Force MOs to be on axes. Nice for atoms
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2024-04-05 17:51:48 +02:00 |
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7c100a1a2d
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Symmetry
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2020-11-11 15:51:19 +01:00 |
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75891f14b7
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Linear dependencies cutoff
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2020-05-25 11:31:28 +02:00 |
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24d9745056
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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