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5cc48e59d7
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Accelerated HRR and VRR
|
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
|
2018-01-22 23:19:24 +01:00 |
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e4786b7765
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Optimized Zkey
|
2018-01-20 12:10:32 +01:00 |
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1eadca79b3
|
Minimal screening
|
2018-01-20 01:49:50 +01:00 |
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bba7b6e8e4
|
Optimizations
|
2018-01-19 20:20:19 +01:00 |
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0e694adf84
|
Cleaning
|
2018-01-19 18:18:11 +01:00 |
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fde8ef7d8c
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Changed float array to tuple in Coordinate
|
2018-01-19 18:11:03 +01:00 |
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60e374eb03
|
ERI tested with QP -> OK
|
2018-01-19 17:45:55 +01:00 |
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73c8e48731
|
Optimized ERIs
|
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
|
2018-01-18 17:39:10 +01:00 |
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72eb1ce5c3
|
Added Angstrom
|
2018-01-18 14:56:08 +01:00 |
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97e4a09664
|
Cleaning
|
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
|
Reading both XYZ and Zmatrix
|
2018-01-17 15:56:57 +01:00 |
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e909bb9abb
|
Added many files for nuclei
|
2018-01-02 22:33:17 +01:00 |
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9c51073bca
|
Introduced directory structure
|
2017-12-31 16:41:04 +01:00 |
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