occ
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#include <lattice_energy.h>
Public Attributes | |
double | lattice_energy {0.0} |
occ::crystal::CrystalDimers | dimers |
std::vector< CEEnergyComponents > | energy_components |
occ::crystal::CrystalDimers occ::interaction::LatticeEnergyResult::dimers |
std::vector<CEEnergyComponents> occ::interaction::LatticeEnergyResult::energy_components |
double occ::interaction::LatticeEnergyResult::lattice_energy {0.0} |