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occ::solvent::ContinuumSolvationModel Member List

This is the complete list of members for occ::solvent::ContinuumSolvationModel, including all inherited members.

apparent_surface_charge()occ::solvent::ContinuumSolvationModel
charge() constocc::solvent::ContinuumSolvationModelinline
ContinuumSolvationModel(const std::vector< occ::core::Atom > &, const std::string &solvent="water", double charge=0.0, bool draco=false)occ::solvent::ContinuumSolvationModel
name() constocc::solvent::ContinuumSolvationModelinline
nuclear_charges() constocc::solvent::ContinuumSolvationModelinline
nuclear_positions() constocc::solvent::ContinuumSolvationModelinline
num_surface_points() constocc::solvent::ContinuumSolvationModelinline
set_charge(double charge)occ::solvent::ContinuumSolvationModelinline
set_solvent(const std::string &)occ::solvent::ContinuumSolvationModel
set_surface_potential(const Vec &)occ::solvent::ContinuumSolvationModel
smd_cds_energy() constocc::solvent::ContinuumSolvationModel
solvent() constocc::solvent::ContinuumSolvationModelinline
surface_areas_cds() constocc::solvent::ContinuumSolvationModelinline
surface_areas_coulomb() constocc::solvent::ContinuumSolvationModelinline
surface_cds_energy_elements() constocc::solvent::ContinuumSolvationModel
surface_charge() constocc::solvent::ContinuumSolvationModelinline
surface_electronic_energy_elements(const MolecularOrbitals &mo, const Proc &p) constocc::solvent::ContinuumSolvationModelinline
surface_nuclear_energy_elements(const Proc &proc) constocc::solvent::ContinuumSolvationModelinline
surface_polarization_energy()occ::solvent::ContinuumSolvationModel
surface_polarization_energy_elements() constocc::solvent::ContinuumSolvationModel
surface_positions_cds() constocc::solvent::ContinuumSolvationModelinline
surface_positions_coulomb() constocc::solvent::ContinuumSolvationModelinline
write_surface_file(const std::string &filename)occ::solvent::ContinuumSolvationModel