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c8c793db9a
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Cleaning
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2018-02-02 22:43:56 +01:00 |
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3258a2d093
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Cleaning
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2018-02-02 22:12:09 +01:00 |
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08df6eddec
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Recursive Boys function + removed zerom cache
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2018-02-02 21:55:41 +01:00 |
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7ee34f3c9f
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Optimized hash
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2018-02-02 21:23:33 +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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9a8f440f7a
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Transposed 0m
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2018-02-02 18:51:17 +01:00 |
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e9c25e7fe4
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Introducing tuples in Vectorized
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2018-02-02 12:16:29 +01:00 |
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8993c168d6
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Introducing tuples
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2018-02-02 11:42:40 +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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fb8fff6ee1
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Optimization
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2018-02-02 00:04:35 +01:00 |
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9365e69488
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Optimized gamma_q
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2018-02-01 23:00:22 +01:00 |
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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
|
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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938e9c18fb
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Fixed
|
2018-02-01 17:46:10 +01:00 |
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ffc2138419
|
Merge branch 'master' of lpqlx139:/home/scemama/NewQP
|
2018-02-01 17:44:19 +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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f3d03cd424
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Accelerated norm function
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2018-02-01 16:09:04 +01:00 |
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1aeb890aa9
|
Optimized vectorized routines
|
2018-01-31 18:18:11 +01:00 |
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77bdf8ee41
|
Optimized vectorized routines
|
2018-01-31 15:05:01 +01:00 |
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148052025c
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Array of m
|
2018-01-31 14:37:51 +01:00 |
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803fa3a0d9
|
Added print:
|
2018-01-30 22:36:17 +01:00 |
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9c9fc0a9e6
|
Small optimizations
|
2018-01-30 14:51:37 +01:00 |
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|
fead8dce5b
|
Optimizations chop
|
2018-01-30 00:06:04 +01:00 |
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b0a6353ade
|
Optimizations swap
|
2018-01-29 23:51:58 +01:00 |
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9262688642
|
Optimizations
|
2018-01-29 23:44:48 +01:00 |
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d4242e406e
|
Works
|
2018-01-29 15:29:38 +01:00 |
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2d759e736e
|
Vectorized
|
2018-01-29 15:14:16 +01:00 |
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bdccd66b1a
|
Vectorizing
|
2018-01-29 13:39:59 +01:00 |
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8a851eb4ed
|
Working on vectorized code
|
2018-01-25 13:59:31 +01:00 |
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|
15ef05a9b1
|
Working on vectorization
|
2018-01-25 01:28:10 +01:00 |
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|
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8c8ea8363a
|
Fixed
|
2018-01-24 16:34:50 +01:00 |
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5cc48e59d7
|
Accelerated HRR and VRR
|
2018-01-24 16:29:48 +01:00 |
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e9c0a8d0db
|
Working on ERI
|
2018-01-24 02:14:37 +01:00 |
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fdf6b02043
|
Accelerated Zkey
|
2018-01-23 23:52:57 +01:00 |
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e0c0ec1353
|
Schwartz
|
2018-01-23 19:26:28 +01:00 |
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a20b22dab7
|
Preparation of Schwartz screening
|
2018-01-23 00:48:45 +01:00 |
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|
4a4809fc7e
|
Inserted overlap
|
2018-01-22 23:19:24 +01:00 |
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|
ce59acc326
|
Working on 1e integrals
|
2018-01-22 15:27:41 +01:00 |
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e4786b7765
|
Optimized Zkey
|
2018-01-20 12:10:32 +01:00 |
|
|
|
1eadca79b3
|
Minimal screening
|
2018-01-20 01:49:50 +01:00 |
|
|
|
b92eaf9fe5
|
Cleaning
|
2018-01-19 23:31:10 +01:00 |
|
|
|
bba7b6e8e4
|
Optimizations
|
2018-01-19 20:20:19 +01:00 |
|
|
|
0e694adf84
|
Cleaning
|
2018-01-19 18:18:11 +01:00 |
|
|
|
fde8ef7d8c
|
Changed float array to tuple in Coordinate
|
2018-01-19 18:11:03 +01:00 |
|
|
|
60e374eb03
|
ERI tested with QP -> OK
|
2018-01-19 17:45:55 +01:00 |
|
|
|
73c8e48731
|
Optimized ERIs
|
2018-01-19 03:14:06 +01:00 |
|
