Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Files | |
file | BasisPruner.cpp |
file | BasisPruner.h [code] |
file | OrderedInput.h [code] |
file | TDDFTBCalculator.cpp |
file | TDDFTBCalculator.h [code] |
Top class responsible for TDDFTB calculations of excited states. | |
file | TDDFTBData.h [code] |
file | TDDFTBEigenvalueSolver.h [code] |
file | TDDFTBSettings.h [code] |
file | TDDFTBSigmaVectorEvaluator.cpp |
file | TDDFTBSigmaVectorEvaluator.h [code] |