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Scine::Sparrow
4.0.0
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} |