Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Files | |
file | AtomicParameters.h [code] |
file | ChargeSeparationParameter.cpp |
file | ChargeSeparationParameter.h [code] |
file | DiatomicParameters.h [code] |
file | ElementPairParameters.h [code] |
file | ElementParameters.h [code] |
file | KlopmanParameter.cpp |
file | KlopmanParameter.h [code] |
file | PM6DiatomicParameters.h [code] |
file | PrincipalQuantumNumbers.cpp |
file | PrincipalQuantumNumbers.h [code] |
file | RawParameterProcessor.cpp |
file | RawParameterProcessor.h [code] |
file | SlaterCondonParameters.cpp |
file | SlaterCondonParameters.h [code] |