37 Commits

This Branch

This Branch

All Branches

Author	SHA1	Message	Date
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
Anthony Scemama	9a07a3d9e8	WIP: Derivatives	2020-12-10 17:21:38 +01:00
Anthony Scemama	2480377d08	Reference value	2020-12-10 14:21:38 +01:00
Anthony Scemama	f783e1c4fd	jast2	2020-12-10 14:16:39 +01:00
Panadestein	f5e1f8487c	Tabulating. Broken	2020-12-10 13:55:53 +01:00
Panadestein	e184163d6f	Naive feen ok. Progressive opt	2020-12-09 22:23:19 +01:00
Ramon L. PANADES-BARRUETA	266e9dc655	Merge pull request #1 from Panadestein/opt ... Opt	2020-12-08 23:49:25 +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
Anthony Scemama	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
Anthony Scemama	bcd9d7491a	Random file	2020-12-02 15:35:06 +01:00
Anthony Scemama	1f8e639e0c	Fixed random bug	2020-12-02 15:32:08 +01:00
Anthony Scemama	67f1d6c4f6	Fastest version without pow	2020-12-02 11:58:59 +01:00
Anthony Scemama	fe22ad2240	Remove if in loop	2020-12-02 11:25:20 +01:00
Anthony Scemama	9392f596ad	optim el_nuc_el	2020-12-02 10:41:22 +01:00
Anthony Scemama	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