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

16 Commits

Author SHA1 Message Date
7fe8e3d214 Changes after Zoom with William 2021-03-10 21:26:25 +01:00
04113a93d5 Added nelec as command line argument 2021-03-10 14:52:04 +01:00
8c5cfe0bbe Minor changes 2021-03-09 00:59:49 +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
Panadestein
01126faa45 Gradient and Laplacian for total jastrow working 2020-12-17 16:44:15 +01:00
fc0f30a804 WIP jast deriv 2020-12-15 17:06:55 +01:00
Panadestein
e184163d6f Naive feen ok. Progressive opt 2020-12-09 22:23:19 +01:00
Panadestein
72c0fb1e4e Fix electrons formula 2020-12-08 23:40:24 +01:00
Panadestein
be13b968df Fix nuclei formula 2020-12-08 18:56:36 +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
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
247b84f2d2 Tests (broken) 2020-11-26 16:12:33 +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