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82561b2420
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Introduced TRR for maxm>10
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2018-02-22 01:48:30 +01:00 |
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90481d296b
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TRR and Gc
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2018-02-22 01:38:47 +01:00 |
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0207cc7497
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Cleaning in ERI
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2018-02-21 17:27:31 +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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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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27d775614f
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Cleaning
|
2018-02-19 11:24:25 +01:00 |
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7b8be87bfc
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1d arrays
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2018-02-14 20:00:12 +01:00 |
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ade45cd49d
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A lot of cleaning
|
2018-02-13 17:36:25 +01:00 |
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fe3fcd7a12
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Schwartz in VectorRR
|
2018-02-12 00:56:32 +01:00 |
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cf075946e8
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Accelerated vectorized RR
|
2018-02-12 00:05:33 +01:00 |
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264181ebd1
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Accelerated scalar RR
|
2018-02-12 00:02:12 +01:00 |
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f17a72428b
|
Indent
|
2018-02-11 02:41:55 +01:00 |
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e72a88b106
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Filtered shell quartets
|
2018-02-11 02:40:47 +01:00 |
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e79674ae1e
|
Filtered shell quartets
|
2018-02-11 02:30:19 +01:00 |
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92596d872b
|
Optimized
|
2018-02-11 01:25:56 +01:00 |
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1677007e48
|
Better vectorization
|
2018-02-11 01:06:42 +01:00 |
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03380374a1
|
Better vectorization
|
2018-02-11 01:05:30 +01:00 |
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58d0e65b4e
|
Better vectorization
|
2018-02-11 00:05:56 +01:00 |
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7415033b64
|
Less allocations
|
2018-02-10 23:31:37 +01:00 |
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|
|
346db83439
|
Less allocations
|
2018-02-10 22:19:13 +01:00 |
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|
943dfa9935
|
Optimizations
|
2018-02-10 03:37:00 +01:00 |
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|
|
9e9fe01f8d
|
Removed Mat and Vec
|
2018-02-10 01:53:41 +01:00 |
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|
032f1a0913
|
Working on contraction
|
2018-02-10 00:43:29 +01:00 |
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365735d111
|
Working on contraction
|
2018-02-09 20:18:53 +01:00 |
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|
|
5420d41503
|
Removed CD.(k)
|
2018-02-09 12:57:42 +01:00 |
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|
|
eeb4f9f52c
|
Introducing contracted shell pairs
|
2018-02-07 17:07:05 +01:00 |
|
|
|
5e87c5edef
|
Indentation
|
2018-02-03 19:01:30 +01:00 |
|
|
|
687c023284
|
Fixed. Correct with QP
|
2018-02-03 18:53:44 +01:00 |
|
|
|
45361068a2
|
Introducing monocentric
|
2018-02-03 16:41:29 +01:00 |
|
|
|
c8c793db9a
|
Cleaning
|
2018-02-02 22:43:56 +01:00 |
|
|
|
3258a2d093
|
Cleaning
|
2018-02-02 22:12:09 +01:00 |
|
|
|
08df6eddec
|
Recursive Boys function + removed zerom cache
|
2018-02-02 21:55:41 +01:00 |
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|
|
7ee34f3c9f
|
Optimized hash
|
2018-02-02 21:23:33 +01:00 |
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|
|
94ab6f0174
|
zerom_cache
|
2018-02-02 21:14:13 +01:00 |
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|
9a8f440f7a
|
Transposed 0m
|
2018-02-02 18:51:17 +01:00 |
|
|
|
e9c25e7fe4
|
Introducing tuples in Vectorized
|
2018-02-02 12:16:29 +01:00 |
|
|
|
8993c168d6
|
Introducing tuples
|
2018-02-02 11:42:40 +01:00 |
|
|
|
49c503fa55
|
Optimization
|
2018-02-02 01:25:10 +01:00 |
|
|
|
fb8fff6ee1
|
Optimization
|
2018-02-02 00:04:35 +01:00 |
|
|
|
938e9c18fb
|
Fixed
|
2018-02-01 17:46:10 +01:00 |
|
|
|
ffc2138419
|
Merge branch 'master' of lpqlx139:/home/scemama/NewQP
|
2018-02-01 17:44:19 +01:00 |
|
|
|
a586ccc434
|
Fixed norm inefficiency
|
2018-02-01 17:14:34 +01:00 |
|
|
|
1aeb890aa9
|
Optimized vectorized routines
|
2018-01-31 18:18:11 +01:00 |
|
|
|
77bdf8ee41
|
Optimized vectorized routines
|
2018-01-31 15:05:01 +01:00 |
|
|
|
803fa3a0d9
|
Added print:
|
2018-01-30 22:36:17 +01:00 |
|
|
|
9c9fc0a9e6
|
Small optimizations
|
2018-01-30 14:51:37 +01:00 |
|
|
|
fead8dce5b
|
Optimizations chop
|
2018-01-30 00:06:04 +01:00 |
|
|
|
9262688642
|
Optimizations
|
2018-01-29 23:44:48 +01:00 |
|
|
|
d4242e406e
|
Works
|
2018-01-29 15:29:38 +01:00 |
|
|
|
2d759e736e
|
Vectorized
|
2018-01-29 15:14:16 +01:00 |
|
