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irpjast
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73 Commits 8 Branches 0 Tags 8.4 MiB
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73 Commits

Author SHA1 Message Date
Anthony Scemama 3c6352730b Fixed bug (nelec_8) 2021-03-18 10:48:23 +01:00
Anthony Scemama b15cd4dac3 Added new codelet 2021-03-18 10:27:40 +01:00
Anthony Scemama 9d355e5752 Split memory-intensive loop 2021-03-18 10:26:14 +01:00
Anthony Scemama ddba2253ac Cleaning 2021-03-11 07:51:51 +01:00
Anthony Scemama e923ab7c20 Updated codelet for 3s 2021-03-10 21:45:52 +01:00
Anthony Scemama 7fe8e3d214 Changes after Zoom with William 2021-03-10 21:26:25 +01:00
Anthony Scemama 04113a93d5 Added nelec as command line argument 2021-03-10 14:52:04 +01:00
Anthony Scemama 0ea808722c
Merge pull request #2 from v1j4y/vj_as 
Added files for generating data.
 2021-03-10 14:08:07 +01:00
vijay gopal chilkuri e921bbeeae Added files for generating data. 2021-03-10 14:04:07 +01:00
Anthony Scemama 26a69bea7e Fixed submodule 2021-03-10 13:54:02 +01:00
Anthony Scemama 6e7fa66ad0 Added irpf90 2021-03-10 13:49:19 +01:00
Anthony Scemama 5a34590c31
Merge pull request #1 from TREX-CoE/as 
AS branch is master branch
 2021-03-10 13:45:18 +01:00
Anthony Scemama 8c5cfe0bbe Minor changes 2021-03-09 00:59:49 +01:00
vijay gopal chilkuri 4753d9a142 Changed order in factor_een_deriv_e_blas. 2021-03-08 23:52:04 +01:00
vijay gopal chilkuri 5b19669825 Fixed bug in allocation of cn. 2021-03-08 22:54:33 +01:00
vijay gopal chilkuri c2ba528452 Moved j index to position 1. 2021-03-08 22:49:30 +01:00
vijay gopal chilkuri 99775ce6f1 Allocate cn separately. 2021-03-08 22:20:57 +01:00
vijay gopal chilkuri 3172bbbb5c Fixed a few bugs. 2021-03-08 22:16:50 +01:00
vijay gopal chilkuri 84ad1a4927 Make sure to update tmp buffers in BLAS version. 2021-03-08 22:02:53 +01:00
vijay gopal chilkuri 4b26e01de9 moved BLAS to a provider. 2021-03-08 22:01:33 +01:00
vijay gopal chilkuri b22bd73b29 Fixed allocation of temp buffers. 2021-03-08 21:55:45 +01:00
vijay gopal chilkuri e2f1404784 Added input of nelec, nnuc, and initialization of typenuc_arr=1. 2021-03-08 21:47:00 +01:00
v1j4y e868c0d169 Removed mistaken commit to master. Moved to branch vj. 2021-02-02 13:26:10 +01:00
v1j4y 5e047e3391 Testing various ideas on SVD. 2021-02-02 13:24:48 +01:00
v1j4y 6eec4423cc Removed dev stuff from README and shifted it to vj branch. 2021-01-28 01:04:59 +01:00
v1j4y 399a8c2074 Added some ideas to the README file. 2021-01-27 13:00:55 +01:00
Anthony Scemama e4fa71430c Reduced loops 2021-01-25 00:16:09 +01:00
Ramon L. PANADES-BARRUETA f8c9968105
Merge pull request #5 from Panadestein/as 
BLAS for value, gradient and Laplacian
 2021-01-23 22:33:19 +01:00
Anthony Scemama 1583fff817 BLAS for VGL 2021-01-23 22:14:49 +01:00
Anthony Scemama 06fa69696a VGL blas OK 2021-01-23 20:06:20 +01:00
Ramon L. PANADES-BARRUETA 8a884235f0
Merge pull request #4 from Panadestein/as 
Faster gradient and laplacian in 3body Jastrow
 2021-01-23 16:02:43 +01:00
Anthony Scemama 146849962c Faster Jastrow 2021-01-23 15:34:36 +01:00
Anthony Scemama c1a4638886 README 2021-01-19 16:22:12 +01:00
Ramon L. PANADES-BARRUETA 71a78333d8
Merge pull request #3 from Panadestein/as 
BLAS jastrow (value only)
 2021-01-19 15:04:20 +01:00
Anthony Scemama 7b9db3808b Simplified non-blas 2021-01-19 00:57:26 +01:00
Anthony Scemama cfc329b2f8 README 2021-01-19 00:44:57 +01:00
Anthony Scemama 0e5700056b Added blas for feen 2021-01-19 00:31:44 +01:00
Anthony Scemama 916ca5234c Accelerated Jeen 2021-01-17 19:24:56 +01:00
Ramon L. PANADES-BARRUETA 907d62e5ac
Merge pull request #2 from Panadestein/as 
Optimizations: reduce number of exponentials
 2021-01-17 15:41:36 +01:00
Anthony Scemama 7fd1fd19fd Optimizations: reduce number of exponentials 2021-01-15 19:13:37 +01:00
Panadestein c2bbae93e7 Fixed printing 2021-01-04 16:45:32 +01:00
Panadestein 01126faa45 Gradient and Laplacian for total jastrow working 2020-12-17 16:44:15 +01:00
Panadestein bcc68c6e81 Jen gradient and laplacian working! 2020-12-17 15:33:51 +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
Anthony Scemama 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
Anthony Scemama a1da70a829 Merge branch 'as' 2020-12-10 17:29:46 +01:00
Anthony Scemama 3c9d713b7d Merge with master 2020-12-10 17:28:23 +01:00