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9660eed87f
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Preparing tests for Erf integrals
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2020-03-26 16:24:41 +01:00 |
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f865181e9e
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Updated run_integrals
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2020-01-17 10:51:11 +01:00 |
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0462e19117
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Removed duplicated code
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2019-10-24 11:25:49 +02:00 |
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d1efe67e5a
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Working on f12.
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2019-05-07 17:00:44 +02:00 |
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0e34c3adca
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Separated 4, 3 and 2-idx integrals
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2019-04-05 14:36:47 +02:00 |
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bb0b52f4ea
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F12 integrals
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2019-03-13 22:02:08 +01:00 |
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ecf61058f9
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S2 is programmed in CI
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2019-02-22 19:19:11 +01:00 |
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ccb4967993
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Cleaned AO Basis
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2019-02-20 18:24:44 +01:00 |
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8454863e91
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Cleaned simulation
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2019-02-20 18:15:15 +01:00 |
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9e5933f0d0
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Introduced AOBasis
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2018-06-13 17:49:58 +02:00 |
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fd1b05c4ec
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Removed TRR
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2018-02-23 00:58:54 +01:00 |
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23389acfc8
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Hartree-Fock OK
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2018-02-22 18:20:45 +01:00 |
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90481d296b
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TRR and Gc
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2018-02-22 01:38:47 +01:00 |
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0455da3b46
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Nuclear repulsion
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2018-02-20 23:54:48 +01:00 |
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730f6a9e3f
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Introduces Simulation
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2018-02-09 00:37:25 +01:00 |
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8b1b260c90
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All one- and two- electron integrals OK
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2018-02-06 17:39:14 +01:00 |
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666a4f4f69
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Fixed ERI
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2018-02-06 15:49:17 +01:00 |
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db46395e4e
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Working on Nuc
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2018-02-05 23:31:46 +01:00 |
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925cdf693f
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Working on Nuclear integrals
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2018-02-03 23:26:20 +01:00 |
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9c9fc0a9e6
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Small optimizations
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2018-01-30 14:51:37 +01:00 |
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4a4809fc7e
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Inserted overlap
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2018-01-22 23:19:24 +01:00 |
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bba7b6e8e4
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Optimizations
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2018-01-19 20:20:19 +01:00 |
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73c8e48731
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Optimized ERIs
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2018-01-19 03:14:06 +01:00 |
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e3e16bd5bd
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Pretty printing
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2018-01-18 17:39:10 +01:00 |
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72eb1ce5c3
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Added Angstrom
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2018-01-18 14:56:08 +01:00 |
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0687671098
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Working on input
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2018-01-18 00:21:05 +01:00 |
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