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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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7415033b64
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Less allocations
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2018-02-10 23:31:37 +01:00 |
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346db83439
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Less allocations
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2018-02-10 22:19:13 +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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032f1a0913
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Working on contraction
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2018-02-10 00:43:29 +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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5420d41503
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Removed CD.(k)
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2018-02-09 12:57:42 +01:00 |
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7bcc910edf
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Swapping of 2 electrons for HRR
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2018-02-09 10:49:27 +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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6e2c5130ca
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Optimized Incomplete Gamma
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2018-02-09 01:32:07 +01:00 |
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58a5ec1abc
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Forgot file
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2018-02-09 00:42:26 +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
|
2018-02-06 18:12:19 +01:00 |
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8b1b260c90
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All one- and two- electron integrals OK
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2018-02-06 17:39:14 +01:00 |
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f964e30098
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Removed arrays
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2018-02-06 17:13:25 +01:00 |
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cccf8d40b0
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Fixed Overlap
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2018-02-06 16:33:28 +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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2877a9d492
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Nuclear Integrals OK
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2018-02-06 12:02:00 +01:00 |
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db46395e4e
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Working on Nuc
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2018-02-05 23:31:46 +01:00 |
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6b83e80572
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Working on Nuclear ints
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2018-02-04 23:46:06 +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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c836e3a74c
|
Optim
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2018-02-03 19:15:56 +01:00 |
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5e87c5edef
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Indentation
|
2018-02-03 19:01:30 +01:00 |
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687c023284
|
Fixed. Correct with QP
|
2018-02-03 18:53:44 +01:00 |
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e3aecbff7d
|
Merge branch 'tuples'
|
2018-02-03 18:39:14 +01:00 |
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d227f5929a
|
Fixed
|
2018-02-03 18:17:17 +01:00 |
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6c59ebfd05
|
Vrr OK
|
2018-02-03 17:16:14 +01:00 |
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6c6bcb462f
|
vrr0 OK
|
2018-02-03 17:11:26 +01:00 |
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45361068a2
|
Introducing monocentric
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2018-02-03 16:41:29 +01:00 |
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c8c793db9a
|
Cleaning
|
2018-02-02 22:43:56 +01:00 |
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3258a2d093
|
Cleaning
|
2018-02-02 22:12:09 +01:00 |
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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 |
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e9c25e7fe4
|
Introducing tuples in Vectorized
|
2018-02-02 12:16:29 +01:00 |
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8993c168d6
|
Introducing tuples
|
2018-02-02 11:42:40 +01:00 |
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b4ab7c39bd
|
Store ERI in a genarray
|
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
|
Optimized gamma_q
|
2018-02-01 23:00:22 +01:00 |
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91f1dacaf4
|
removed GSL dependency
|
2018-02-01 22:53:00 +01:00 |
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d93729deff
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gamma function from libm
|
2018-02-01 22:39:23 +01:00 |
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daf96d567b
|
Erf
|
2018-02-01 22:19:23 +01:00 |
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b5ee17ca3e
|
Boys
|
2018-02-01 19:10:20 +01:00 |
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c666878dcd
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Fast 00
|
2018-02-01 19:06:29 +01:00 |
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