10 Commits

Author	SHA1	Message	Date
Anthony Scemama	4f332ee494	Fixed 6-31G and quickstart (#65) ... * Fixed 6-31 basis sets * Bug in quickstart	2019-10-01 10:38:29 +02:00
Anthony Scemama	2c0ad8ccc5	Reduced size of qp2.png	2019-08-02 12:41:24 +02:00
Anthony Scemama	00375418e5	Merge branch 'Fix_Bug_ECP' of https://github.com/anbenali/qp2 into anbenali-Fix_Bug_ECP	2019-06-08 15:52:33 +02:00
anbenali	70536970b0	Fix small format issue in ECP	2019-05-29 12:03:06 -05:00
Anouar Benali	452bd1142f	NCSU ECP and Basis set (#41) ... * Adding Basis Sets and ECP from NCSU. When available He core ECP are chosen instead of large core. This applies to Na Mg Al Si P S Cl and Ar * ECP from ncsu * Update Readme file with description of Basis Set	2019-05-24 16:19:34 -05:00
anbenali	5d951efd51	Update Readme file with description of Basis Set	2019-05-24 13:55:43 -05:00
anbenali	0b3cd3fdef	ECP from ncsu	2019-05-24 12:19:23 -05:00
anbenali	83a9ce67db	Adding Basis Sets and ECP from NCSU. When available He core ECP are chosen instead of large core. This applies to Na Mg Al Si P S Cl and Ar	2019-05-24 12:18:48 -05:00
Anthony Scemama	a0f6165ff3	Changed QP2 logo	2019-05-15 15:56:21 +02:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00