35 Commits

This Branch

This Branch

All Branches

Author	SHA1	Message	Date
Anthony Scemama	9262688642	Optimizations	2018-01-29 23:44:48 +01:00
Anthony Scemama	d4242e406e	Works	2018-01-29 15:29:38 +01:00
Anthony Scemama	2d759e736e	Vectorized	2018-01-29 15:14:16 +01:00
Anthony Scemama	bdccd66b1a	Vectorizing	2018-01-29 13:39:59 +01:00
Anthony Scemama	8a851eb4ed	Working on vectorized code	2018-01-25 13:59:31 +01:00
Anthony Scemama	15ef05a9b1	Working on vectorization	2018-01-25 01:28:10 +01:00
Anthony Scemama	8c8ea8363a	Fixed	2018-01-24 16:34:50 +01:00
Anthony Scemama	5cc48e59d7	Accelerated HRR and VRR	2018-01-24 16:29:48 +01:00
Anthony Scemama	e9c0a8d0db	Working on ERI	2018-01-24 02:14:37 +01:00
Anthony Scemama	fdf6b02043	Accelerated Zkey	2018-01-23 23:52:57 +01:00
Anthony Scemama	e0c0ec1353	Schwartz	2018-01-23 19:26:28 +01:00
Anthony Scemama	a20b22dab7	Preparation of Schwartz screening	2018-01-23 00:48:45 +01:00
Anthony Scemama	4a4809fc7e	Inserted overlap	2018-01-22 23:19:24 +01:00
Anthony Scemama	ce59acc326	Working on 1e integrals	2018-01-22 15:27:41 +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	b92eaf9fe5	Cleaning	2018-01-19 23:31:10 +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	0687671098	Working on input	2018-01-18 00:21:05 +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	759fa6f097	Added mli files for Nuclei	2018-01-02 22:02:01 +01:00
Anthony Scemama	cfc59a256d	Added xyz file parser/lexer	2017-12-31 18:27:58 +01:00
Anthony Scemama	9c51073bca	Introduced directory structure	2017-12-31 16:41:04 +01:00
Anthony Scemama	39d2c77243	Update Angular_momentum	2017-12-30 19:14:33 +01:00
Anthony Scemama	2971dd0deb	Lexer/Parser for basis sets	2017-12-30 19:06:07 +01:00