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mirror of https://github.com/TREX-CoE/irpjast.git synced 2024-12-25 13:53:59 +01:00
Commit Graph

32 Commits

Author SHA1 Message Date
3c6352730b Fixed bug (nelec_8) 2021-03-18 10:48:23 +01:00
ddba2253ac Cleaning 2021-03-11 07:51:51 +01:00
vijay gopal chilkuri
c2ba528452 Moved j index to position 1. 2021-03-08 22:49:30 +01:00
e4fa71430c Reduced loops 2021-01-25 00:16:09 +01:00
1583fff817 BLAS for VGL 2021-01-23 22:14:49 +01:00
06fa69696a VGL blas OK 2021-01-23 20:06:20 +01:00
146849962c Faster Jastrow 2021-01-23 15:34:36 +01:00
7b9db3808b Simplified non-blas 2021-01-19 00:57:26 +01:00
0e5700056b Added blas for feen 2021-01-19 00:31:44 +01:00
916ca5234c Accelerated Jeen 2021-01-17 19:24:56 +01:00
7fd1fd19fd Optimizations: reduce number of exponentials 2021-01-15 19:13:37 +01:00
Panadestein
952c6696a5 Jen gradient. Not laplacian 2020-12-16 19:38:41 +01:00
Panadestein
3fe41e7ba4 Jee derivatives fully functional 2020-12-16 13:22:42 +01:00
fc0f30a804 WIP jast deriv 2020-12-15 17:06:55 +01:00
Panadestein
21587ad197 Jee derivatives full (Test faliling. Non NaNs) 2020-12-15 12:04:34 +01:00
Panadestein
c8dd05f555 Jee derivatives full (To be tested) 2020-12-14 13:40:47 +01:00
9a07a3d9e8 WIP: Derivatives 2020-12-10 17:21:38 +01:00
f783e1c4fd jast2 2020-12-10 14:16:39 +01:00
Panadestein
ea0d11a899 Corrected distances 2020-12-08 13:08:23 +01:00
Panadestein
274b648e4c Added input files 2020-12-07 10:55:37 +01:00
45987d8699 Fixed orders 2020-12-04 16:14:56 +01:00
Panadestein
fac1c40693 Flattened array working. 2020-12-04 15:33:20 +01:00
Panadestein
66db010d0e Use flattened array 2020-12-04 13:59:10 +01:00
Panadestein
bcef333c60 Reading input file. BROKENgit add .! 2020-12-04 01:05:07 +01:00
1f8e639e0c Fixed random bug 2020-12-02 15:32:08 +01:00
67f1d6c4f6 Fastest version without pow 2020-12-02 11:58:59 +01:00
fe22ad2240 Remove if in loop 2020-12-02 11:25:20 +01:00
9392f596ad optim el_nuc_el 2020-12-02 10:41:22 +01:00
247b84f2d2 Tests (broken) 2020-11-26 16:12:33 +01:00
Panadestein
900bf125e6 Fix double summation 2020-11-25 18:09:13 +01:00
Panadestein
0af276cfc5 Almost functional version. Need correct Cord 2020-11-25 16:59:53 +01:00
Panadestein
32576e0221 Initial commit 2020-11-17 21:35:52 +01:00