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52db618c2b
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Implemented read MOs from trexio
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2024-09-13 18:22:45 +02:00 |
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01cb05e5cd
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Mo.Basis.pp has the wrong type for a printing function.
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2024-09-05 14:53:10 +02:00 |
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5c0b356b6c
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Removed org-mode
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2024-06-20 15:38:37 +02:00 |
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7eba47e0a4
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Cleaned localization
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2024-02-28 11:17:20 +01:00 |
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feebc5a0e8
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Removing org-mode
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2024-02-28 10:48:09 +01:00 |
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d6ef25d55a
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Removing org-mode
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2024-01-26 11:24:56 +01:00 |
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d53c0e6ea3
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Added Landmark profiler
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2023-06-30 12:22:26 +02:00 |
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0f0bceb6c3
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GWH guess
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2023-06-26 15:37:05 +02:00 |
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98ca250ed3
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Summary
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2021-10-19 16:57:22 +02:00 |
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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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