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6 Commits

Author SHA1 Message Date
d923ba2752
Merge branch 'master' into features_emsl 2020-02-12 14:01:42 -06:00
ad8adda841 Documentation in configure 2020-02-04 19:04:36 +01:00
1191679173 Removed basis set files and added configure/install script 2020-02-04 18:33:41 +01:00
0e29b1c264 Basis warning 2020-02-04 16:49:16 +01:00
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
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00