occ::xtb::XtbSolvationModel Member List

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

atom_potential() const =0	occ::xtb::XtbSolvationModel	pure virtual
damping_radius_gradient() const	occ::xtb::XtbSolvationModel	inlinevirtual
dipole_potential() const	occ::xtb::XtbSolvationModel	inlinevirtual
energy() const =0	occ::xtb::XtbSolvationModel	pure virtual
gradient() const	occ::xtb::XtbSolvationModel	inlinevirtual
initialize(const Mat3N &positions_bohr, const IVec &atomic_numbers)=0	occ::xtb::XtbSolvationModel	pure virtual
name() const =0	occ::xtb::XtbSolvationModel	pure virtual
quadrupole_potential() const	occ::xtb::XtbSolvationModel	inlinevirtual
set_multipole_damping(const Vec &, double, double)	occ::xtb::XtbSolvationModel	inlinevirtual
surfaces() const	occ::xtb::XtbSolvationModel	inlinevirtual
update(const Vec &atomic_charges)=0	occ::xtb::XtbSolvationModel	pure virtual
update(const Vec &atomic_charges, const Mat3N &, const Mat &)	occ::xtb::XtbSolvationModel	inlinevirtual
~XtbSolvationModel()=default	occ::xtb::XtbSolvationModel	virtual