Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Public Attributes | |
const Utils::ElementType | arbitraryElement {Utils::ElementType::V} |
const double | arbitraryIntegral {0.12345678} |
const double | arbExp1 {0.33445566} |
const double | arbExp2 {0.989898} |
const double | arbExp3 {1.111111} |
OneCenterTwoElectronIntegrals | integral |