Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Directories | |
directory | Wrapper |
Files | |
file | PM6Method.cpp |
file | PM6Method.h [code] |
file | PM6PairwiseRepulsion.cpp |
file | PM6PairwiseRepulsion.h [code] |
file | PM6RepulsionEnergy.cpp |
file | PM6RepulsionEnergy.h [code] |