PTEROSOR/QuantumPackage
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2 Commits

Author SHA1 Message Date
Anouar Benali
f133cb1e9f 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
 2019-05-28 15:39:09 +02:00
Anthony Scemama
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00