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91f1dacaf4
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removed GSL dependency
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2018-02-01 22:53:00 +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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daf96d567b
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Erf
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2018-02-01 22:19:23 +01:00 |
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b5ee17ca3e
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Boys
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2018-02-01 19:10:20 +01:00 |
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c666878dcd
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Fast 00
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2018-02-01 19:06:29 +01:00 |
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5cc48e59d7
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Accelerated HRR and VRR
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2018-01-24 16:29:48 +01:00 |
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fdf6b02043
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Accelerated Zkey
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2018-01-23 23:52:57 +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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e4786b7765
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Optimized Zkey
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2018-01-20 12:10:32 +01:00 |
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1eadca79b3
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Minimal screening
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2018-01-20 01:49:50 +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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0e694adf84
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Cleaning
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2018-01-19 18:18:11 +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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932d5859fe
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General RR module
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2018-01-18 23:42:48 +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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97e4a09664
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Cleaning
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2018-01-17 19:22:30 +01:00 |
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6437c5503a
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Working on AO shells
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2018-01-17 18:19:38 +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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9c51073bca
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Introduced directory structure
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2017-12-31 16:41:04 +01:00 |
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