Scine::Sparrow
5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Public Member Functions | |
void | SetUp () override |
Public Attributes | |
VuvB | v |
KlopmanParameter | KV |
ChargeSeparationParameter | DV |
const double | pcore {3.923} |
const double | zb {4.00} |