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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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