| active_electrons() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| aobasis() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| atoms() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| center_of_mass() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| compute_effective_core_potential_matrix() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| compute_electronic_multipole_matrices(const Vec3 &o={0.0, 0.0, 0.0}) const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| compute_electronic_multipoles(const MolecularOrbitals &mo, const Vec3 &o={0.0, 0.0, 0.0}) const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| compute_fock(const MolecularOrbitals &mo, const Mat &Schwarz=Mat()) const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| compute_fock_mixed_basis(const MolecularOrbitals &mo_bs, const qm::AOBasis &bs, bool is_shell_diagonal) | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| compute_kinetic_matrix() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| compute_nuclear_attraction_matrix() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| compute_nuclear_multipoles(const Vec3 &o={0.0, 0.0, 0.0}) const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| compute_overlap_matrix() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| compute_overlap_matrix_for_basis(const occ::qm::AOBasis &bs) const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| compute_point_charge_interaction_matrix(const PointChargeList &pc) | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| compute_schwarz_ints() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| frozen_electrons() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| have_effective_core_potentials() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| name() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| nbf() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| nuclear_point_charge_interaction_energy(const PointChargeList &pc) const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| nuclear_repulsion_energy() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| set_precision(double precision) | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| set_solvent(const std::string &solvent) | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| set_system_charge(int charge) | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| SolvationCorrectedProcedure(Proc &proc, const std::string &solvent="water", bool radii_scaling=false) | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| supports_incremental_fock_build() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| surface_areas_cds() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| surface_areas_coulomb() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| surface_cds_energy_elements() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| surface_electronic_energy_elements(const MolecularOrbitals &mo) const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| surface_nuclear_energy_elements() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| surface_polarization_energy_elements() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| surface_positions_cds() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| surface_positions_coulomb() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| system_charge() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| total_electrons() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| update_core_hamiltonian(const MolecularOrbitals &mo, occ::Mat &H) | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| update_scf_energy(occ::core::EnergyComponents &energy, bool incremental) const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| usual_scf_energy() const | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
| write_surface_file(const std::string &filename) | occ::solvent::SolvationCorrectedProcedure< Proc > | inline |
1.9.8