9f6cedde85
Fixed 6-31 basis sets
2019-09-26 11:00:31 +02:00
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
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
24d9745056
Initial commit
2019-01-25 11:39:31 +01:00
