|
|
d227f5929a
|
Fixed
|
2018-02-03 18:17:17 +01:00 |
|
|
|
6c59ebfd05
|
Vrr OK
|
2018-02-03 17:16:14 +01:00 |
|
|
|
6c6bcb462f
|
vrr0 OK
|
2018-02-03 17:11:26 +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 |
|
|
|
7ee34f3c9f
|
Optimized hash
|
2018-02-02 21:23:33 +01:00 |
|
|
|
94ab6f0174
|
zerom_cache
|
2018-02-02 21:14:13 +01:00 |
|
|
|
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 |
|
|
|
b4ab7c39bd
|
Store ERI in a genarray
|
2018-02-02 10:10:05 +01:00 |
|
|
|
49c503fa55
|
Optimization
|
2018-02-02 01:25:10 +01:00 |
|
|
|
fb8fff6ee1
|
Optimization
|
2018-02-02 00:04:35 +01:00 |
|
|
|
9365e69488
|
Optimized gamma_q
|
2018-02-01 23:00:22 +01:00 |
|
|
|
91f1dacaf4
|
removed GSL dependency
|
2018-02-01 22:53:00 +01:00 |
|
|
|
d93729deff
|
gamma function from libm
|
2018-02-01 22:39:23 +01:00 |
|
|
|
daf96d567b
|
Erf
|
2018-02-01 22:19:23 +01:00 |
|
|
|
b5ee17ca3e
|
Boys
|
2018-02-01 19:10:20 +01:00 |
|
|
|
c666878dcd
|
Fast 00
|
2018-02-01 19:06:29 +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 |
|
|
|
f3d03cd424
|
Accelerated norm function
|
2018-02-01 16:09:04 +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 |
|
|
|
148052025c
|
Array of m
|
2018-01-31 14:37:51 +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 |
|
|
|
b0a6353ade
|
Optimizations swap
|
2018-01-29 23:51:58 +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 |
|
|
|
bdccd66b1a
|
Vectorizing
|
2018-01-29 13:39:59 +01:00 |
|
|
|
8a851eb4ed
|
Working on vectorized code
|
2018-01-25 13:59:31 +01:00 |
|
|
|
15ef05a9b1
|
Working on vectorization
|
2018-01-25 01:28:10 +01:00 |
|
|
|
8c8ea8363a
|
Fixed
|
2018-01-24 16:34:50 +01:00 |
|
|
|
5cc48e59d7
|
Accelerated HRR and VRR
|
2018-01-24 16:29:48 +01:00 |
|
|
|
e9c0a8d0db
|
Working on ERI
|
2018-01-24 02:14:37 +01:00 |
|
|
|
fdf6b02043
|
Accelerated Zkey
|
2018-01-23 23:52:57 +01:00 |
|
|
|
e0c0ec1353
|
Schwartz
|
2018-01-23 19:26:28 +01:00 |
|
|
|
a20b22dab7
|
Preparation of Schwartz screening
|
2018-01-23 00:48:45 +01:00 |
|
|
|
4a4809fc7e
|
Inserted overlap
|
2018-01-22 23:19:24 +01:00 |
|
|
|
ce59acc326
|
Working on 1e integrals
|
2018-01-22 15:27:41 +01:00 |
|
|
|
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 |
|
