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34edda6317
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Working {x;y;z;tot}
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2018-02-19 17:32:44 +01:00 |
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5161cd8226
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Updated keys by removing zarith
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2018-02-14 19:23:23 +01:00 |
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c430ad24c9
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Clean
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2018-02-14 18:08:43 +01:00 |
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58d0e65b4e
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Better vectorization
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2018-02-11 00:05:56 +01:00 |
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943dfa9935
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Optimizations
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2018-02-10 03:37:00 +01:00 |
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9e9fe01f8d
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Removed Mat and Vec
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2018-02-10 01:53:41 +01:00 |
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365735d111
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Working on contraction
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2018-02-09 20:18:53 +01:00 |
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e148515f91
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Optimized 0m
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2018-02-09 02:01:26 +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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659a9a3fcf
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Working on contracted shell pairs
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2018-02-08 01:00:54 +01:00 |
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eeb4f9f52c
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Introducing contracted shell pairs
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2018-02-07 17:07:05 +01:00 |
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d7c3c9f6b7
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Introducing unique shell pairs
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2018-02-07 13:33:25 +01:00 |
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5b4d49773d
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Documentation
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2018-02-06 18:12:19 +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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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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5e87c5edef
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Indentation
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2018-02-03 19:01:30 +01:00 |
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e3aecbff7d
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Merge branch 'tuples'
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2018-02-03 18:39:14 +01:00 |
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6c6bcb462f
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vrr0 OK
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2018-02-03 17:11:26 +01:00 |
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45361068a2
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Introducing monocentric
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2018-02-03 16:41:29 +01:00 |
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94ab6f0174
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zerom_cache
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2018-02-02 21:14:13 +01:00 |
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b4ab7c39bd
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Store ERI in a genarray
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2018-02-02 10:10:05 +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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a586ccc434
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Fixed norm inefficiency
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2018-02-01 17:14:34 +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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803fa3a0d9
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Added print:
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2018-01-30 22:36:17 +01:00 |
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b0a6353ade
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Optimizations swap
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2018-01-29 23:51:58 +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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15ef05a9b1
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Working on vectorization
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2018-01-25 01:28:10 +01:00 |
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e9c0a8d0db
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Working on ERI
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2018-01-24 02:14:37 +01:00 |
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e0c0ec1353
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Schwartz
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2018-01-23 19:26:28 +01:00 |
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b92eaf9fe5
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Cleaning
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2018-01-19 23:31:10 +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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0687671098
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Working on input
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2018-01-18 00:21:05 +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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