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bdece8ea60
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Moving all MOs is not optimal
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2021-02-03 10:47:34 +01:00 |
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254e8b5dc8
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Pretty printer for localization
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2021-02-03 09:31:11 +01:00 |
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32c09e5d14
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Fixed localization
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2021-02-03 08:50:52 +01:00 |
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8e99b4a58c
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Fixed localization
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2021-02-01 16:35:58 +01:00 |
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0b6fe42e55
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Localization
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2021-01-30 19:07:59 +01:00 |
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8502befb65
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Update documentation
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2021-01-28 00:34:26 +01:00 |
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d0f61750da
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Add Gaussian.Atomic_shell_pair
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2021-01-20 23:55:34 +01:00 |
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08bd5303d9
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Added HTML documentation
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2021-01-01 17:05:25 +01:00 |
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73a5cf6ca2
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MP2 OK
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2021-01-01 16:39:33 +01:00 |
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28e6fda242
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Added frozen_core
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2021-01-01 12:52:50 +01:00 |
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65d04a76f2
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Cleaned readme for auto-generation
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2020-12-28 12:23:39 +01:00 |
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3c27ec0c10
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Added exponential of matrix
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2020-12-17 12:55:11 +01:00 |
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51b1d0d002
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Better tests
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2020-12-07 14:12:35 +01:00 |
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74ae9acd1a
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Fixed Huckel guess
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2020-10-26 13:35:06 +01:00 |
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2a7a586c92
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Added a test for Hartree-Fock
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2020-10-26 11:52:24 +01:00 |
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04d9e14470
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Added Hartree_Fock
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2020-10-18 01:58:22 +02:00 |
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16adf48234
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Introduced infix operators for Vector and Matrices
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2020-10-17 19:02:37 +02:00 |
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