occ::interaction::LatticeEnergyResult Struct Reference

#include <lattice_energy.h>

Collaboration diagram for occ::interaction::LatticeEnergyResult:

Public Attributes
double	lattice_energy {0.0}
occ::crystal::CrystalDimers	dimers
std::vector< CEEnergyComponents >	energy_components
std::vector< polarization_partitioning::MoleculeCouplingResults >	coupling_terms

Member Data Documentation

coupling_terms

std::vector<polarization_partitioning::MoleculeCouplingResults> occ::interaction::LatticeEnergyResult::coupling_terms

dimers

occ::crystal::CrystalDimers occ::interaction::LatticeEnergyResult::dimers

energy_components

std::vector<CEEnergyComponents> occ::interaction::LatticeEnergyResult::energy_components

lattice_energy

double occ::interaction::LatticeEnergyResult::lattice_energy {0.0}

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

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