occ::interaction::polarization_partitioning::MoleculeCouplingResults Struct Reference

Results from coupling term calculation for a central molecule. More...

#include <polarization_partitioning.h>

Collaboration diagram for occ::interaction::polarization_partitioning::MoleculeCouplingResults:

Public Attributes
size_t	molecule_idx
	Index of central molecule.
std::vector< CouplingTerm >	couplings
	All pairwise coupling terms for this molecule.

Detailed Description

Results from coupling term calculation for a central molecule.

Member Data Documentation

couplings

std::vector<CouplingTerm> occ::interaction::polarization_partitioning::MoleculeCouplingResults::couplings

All pairwise coupling terms for this molecule.

molecule_idx

size_t occ::interaction::polarization_partitioning::MoleculeCouplingResults::molecule_idx

Index of central molecule.

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

• /home/runner/work/occ/occ/include/occ/interaction/polarization_partitioning.h