30 Commits

Author	SHA1	Message	Date
Anthony Scemama	7bcc910edf	Swapping of 2 electrons for HRR	2018-02-09 10:49:27 +01:00
Anthony Scemama	6e2c5130ca	Optimized Incomplete Gamma	2018-02-09 01:32:07 +01:00
Anthony Scemama	5e87c5edef	Indentation	2018-02-03 19:01:30 +01:00
Anthony Scemama	08df6eddec	Recursive Boys function + removed zerom cache	2018-02-02 21:55:41 +01:00
Anthony Scemama	49c503fa55	Optimization	2018-02-02 01:25:10 +01:00
Anthony Scemama	fb8fff6ee1	Optimization	2018-02-02 00:04:35 +01:00
Anthony Scemama	9365e69488	Optimized gamma_q	2018-02-01 23:00:22 +01:00
Anthony Scemama	91f1dacaf4	removed GSL dependency	2018-02-01 22:53:00 +01:00
Anthony Scemama	d93729deff	gamma function from libm	2018-02-01 22:39:23 +01:00
Anthony Scemama	daf96d567b	Erf	2018-02-01 22:19:23 +01:00
Anthony Scemama	b5ee17ca3e	Boys	2018-02-01 19:10:20 +01:00
Anthony Scemama	c666878dcd	Fast 00	2018-02-01 19:06:29 +01:00
Anthony Scemama	5cc48e59d7	Accelerated HRR and VRR	2018-01-24 16:29:48 +01:00
Anthony Scemama	fdf6b02043	Accelerated Zkey	2018-01-23 23:52:57 +01:00
Anthony Scemama	4a4809fc7e	Inserted overlap	2018-01-22 23:19:24 +01:00
Anthony Scemama	e4786b7765	Optimized Zkey	2018-01-20 12:10:32 +01:00
Anthony Scemama	1eadca79b3	Minimal screening	2018-01-20 01:49:50 +01:00
Anthony Scemama	bba7b6e8e4	Optimizations	2018-01-19 20:20:19 +01:00
Anthony Scemama	0e694adf84	Cleaning	2018-01-19 18:18:11 +01:00
Anthony Scemama	fde8ef7d8c	Changed float array to tuple in Coordinate	2018-01-19 18:11:03 +01:00
Anthony Scemama	60e374eb03	ERI tested with QP -> OK	2018-01-19 17:45:55 +01:00
Anthony Scemama	73c8e48731	Optimized ERIs	2018-01-19 03:14:06 +01:00
Anthony Scemama	932d5859fe	General RR module	2018-01-18 23:42:48 +01:00
Anthony Scemama	e3e16bd5bd	Pretty printing	2018-01-18 17:39:10 +01:00
Anthony Scemama	72eb1ce5c3	Added Angstrom	2018-01-18 14:56:08 +01:00
Anthony Scemama	97e4a09664	Cleaning	2018-01-17 19:22:30 +01:00
Anthony Scemama	6437c5503a	Working on AO shells	2018-01-17 18:19:38 +01:00
Anthony Scemama	dad44067f7	Reading both XYZ and Zmatrix	2018-01-17 15:56:57 +01:00
Anthony Scemama	e909bb9abb	Added many files for nuclei	2018-01-02 22:33:17 +01:00
Anthony Scemama	9c51073bca	Introduced directory structure	2017-12-31 16:41:04 +01:00