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occ::xtb::SmdSolvationModel Member List

This is the complete list of members for occ::xtb::SmdSolvationModel, including all inherited members.

atom_potential() const overrideocc::xtb::SmdSolvationModelinlinevirtual
cds_energy_elements() constocc::xtb::SmdSolvationModelinline
cds_surface() constocc::xtb::SmdSolvationModelinline
dielectric() constocc::xtb::SmdSolvationModelinline
e_cds() constocc::xtb::SmdSolvationModelinline
e_es() constocc::xtb::SmdSolvationModelinline
energy() const overrideocc::xtb::SmdSolvationModelinlinevirtual
engine() constocc::xtb::SmdSolvationModelinline
es_surface() constocc::xtb::SmdSolvationModelinline
gradient() const overrideocc::xtb::SmdSolvationModelinlinevirtual
initialize(const Mat3N &positions_bohr, const IVec &atomic_numbers) overrideocc::xtb::SmdSolvationModelvirtual
name() const overrideocc::xtb::SmdSolvationModelvirtual
num_cds_surface_points() constocc::xtb::SmdSolvationModelinline
num_es_surface_points() constocc::xtb::SmdSolvationModelinline
parameters() constocc::xtb::SmdSolvationModelinline
SmdSolvationModel(std::string solvent="water")occ::xtb::SmdSolvationModelexplicit
surface_charges() constocc::xtb::SmdSolvationModelinline
surfaces() const overrideocc::xtb::SmdSolvationModelvirtual
update(const Vec &atomic_charges) overrideocc::xtb::SmdSolvationModelvirtual
~XtbSolvationModel()=defaultocc::xtb::XtbSolvationModelvirtual