13 Commits

Author	SHA1	Message	Date
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
Anthony Scemama	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
Anthony Scemama	1f8e639e0c	Fixed random bug	2020-12-02 15:32:08 +01:00
Anthony Scemama	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