occ::driver::CGSolvationResult Struct Reference

Per-monomer solvation surfaces, plus the wavefunctions the model can offer for solution-phase monomer and interaction energies. More...

#include <cg_solvation_model.h>

Public Attributes
std::vector< cg::SolvationData >	surfaces
std::vector< qm::Wavefunction >	wavefunctions

Detailed Description

Per-monomer solvation surfaces, plus the wavefunctions the model can offer for solution-phase monomer and interaction energies.

Member Data Documentation

surfaces

std::vector<cg::SolvationData> occ::driver::CGSolvationResult::surfaces

wavefunctions

std::vector<qm::Wavefunction> occ::driver::CGSolvationResult::wavefunctions

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

• /home/runner/work/occ/occ/include/occ/driver/cg_solvation_model.h