occ::cg::InteractionMapper Class Reference

#include <interaction_mapper.h>

Public Member Functions
	InteractionMapper (const Crystal &crystal, const CrystalDimers &dimers, CrystalDimers &uc_dimers, bool consider_inversion=false)
std::vector< double >	map_interactions (const std::vector< double > &solution_terms, const std::vector< DimerResults > &interaction_energies_vec)

Constructor & Destructor Documentation

InteractionMapper()

occ::cg::InteractionMapper::InteractionMapper	(	const Crystal &	crystal,
		const CrystalDimers &	dimers,
		CrystalDimers &	uc_dimers,
		bool	consider_inversion = false
	)

Member Function Documentation

map_interactions()

std::vector< double > occ::cg::InteractionMapper::map_interactions	(	const std::vector< double > &	solution_terms,
		const std::vector< DimerResults > &	interaction_energies_vec
	)

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The documentation for this class was generated from the following file:

• /home/runner/work/occ/occ/include/occ/cg/interaction_mapper.h