occ
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Results from coupling term calculation for a central molecule. More...
#include <polarization_partitioning.h>
Public Attributes | |
size_t | molecule_idx |
Index of central molecule. | |
std::vector< CouplingTerm > | couplings |
All pairwise coupling terms for this molecule. | |
Results from coupling term calculation for a central molecule.
std::vector<CouplingTerm> occ::interaction::polarization_partitioning::MoleculeCouplingResults::couplings |
All pairwise coupling terms for this molecule.
size_t occ::interaction::polarization_partitioning::MoleculeCouplingResults::molecule_idx |
Index of central molecule.