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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-27 13:53:29 +01:00
Commit Graph

5 Commits

Author SHA1 Message Date
579a52b504 Added hydrogen in ccECP 2020-05-11 10:21:01 +02:00
398b7a2d32 Add ccECP data 2020-05-07 01:16:13 +02:00
7aa00c1fc3 Changed ncsu in ccecp 2020-05-07 00:40:26 +02:00
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