DispersionC6Parameters.h File Reference

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Functions
void	Scine::MolecularMechanics::DispersionC6Parameters::fillC6MatrixForCurrentStructure (SfamParameters &parameters, const Utils::AtomCollection &structure, const AtomTypesHolder &atomTypes)
	Fills the C6 parameter matrix in the MM parameters with values calculated for the current structure. More...

Detailed Description

Copyright

This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.