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d2b4928352
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Added gaussian basis
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2021-01-04 23:38:02 +01:00 |
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5f3c514c79
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Improved documentation
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2021-01-01 18:35:37 +01:00 |
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fccf76180e
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Improved Makefile
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2021-01-01 18:07:06 +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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0838da5bcc
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Added build_doc
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2020-12-27 16:36:25 +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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58d4c2695a
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Initial new repo
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2020-09-26 12:02:53 +02:00 |
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17c9aef254
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Opam package
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2018-03-28 01:50:19 +02:00 |
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8aaf6da208
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Documentation and printing
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2018-03-16 00:23:47 +01:00 |
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f139be5286
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Documentation
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2018-03-06 18:25:54 +01:00 |
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209dadb633
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Documentation
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2018-03-06 00:47:33 +01:00 |
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8918f49302
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Documentation
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2018-02-24 23:57:38 +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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92596d872b
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Optimized
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2018-02-11 01:25:56 +01:00 |
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49c503fa55
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Optimization
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2018-02-02 01:25:10 +01:00 |
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fb8fff6ee1
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Optimization
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2018-02-02 00:04:35 +01:00 |
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d93729deff
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gamma function from libm
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2018-02-01 22:39:23 +01:00 |
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f3d03cd424
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Accelerated norm function
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2018-02-01 16:09:04 +01:00 |
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148052025c
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Array of m
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2018-01-31 14:37:51 +01:00 |
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9262688642
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Optimizations
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2018-01-29 23:44:48 +01:00 |
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8c8ea8363a
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Fixed
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2018-01-24 16:34:50 +01:00 |
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ce59acc326
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Working on 1e integrals
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2018-01-22 15:27:41 +01:00 |
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e4786b7765
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Optimized Zkey
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2018-01-20 12:10:32 +01:00 |
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fde8ef7d8c
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Changed float array to tuple in Coordinate
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2018-01-19 18:11:03 +01:00 |
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60e374eb03
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ERI tested with QP -> OK
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2018-01-19 17:45:55 +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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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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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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9c51073bca
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Introduced directory structure
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2017-12-31 16:41:04 +01:00 |
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39d2c77243
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Update Angular_momentum
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2017-12-30 19:14:33 +01:00 |
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2971dd0deb
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Lexer/Parser for basis sets
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2017-12-30 19:06:07 +01:00 |
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