Scine::Sparrow
5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Public Attributes | |
int | Z |
Parameters::Atomic::Pack | pack |
std::array < Parameters::Atomic::GaussianRepulsion, size > | gaussianRepulsion |
Static Public Attributes | |
static constexpr std::size_t | size = s |