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26bcd62db4
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Added small_core function
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2018-07-04 18:08:38 +02:00 |
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f94a5ac268
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Nuclei for T2
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2018-06-29 16:04:40 +02:00 |
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f95d9740b6
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Documentation
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2018-03-03 22:13:14 +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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ade45cd49d
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A lot of cleaning
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2018-02-13 17:36:25 +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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4a4809fc7e
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Inserted overlap
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2018-01-22 23:19:24 +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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0687671098
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Working on input
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2018-01-18 00:21:05 +01:00 |
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dad44067f7
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Reading both XYZ and Zmatrix
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2018-01-17 15:56:57 +01:00 |
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e909bb9abb
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Added many files for nuclei
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2018-01-02 22:33:17 +01:00 |
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cfc59a256d
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Added xyz file parser/lexer
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2017-12-31 18:27:58 +01:00 |
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