add_options(void) const | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinevirtual |
add_options(void) const | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinevirtual |
Base typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Base typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_attractive_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_attractive_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_coefficients_parameters_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_coefficients_parameters_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_length_energy_constant_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_length_energy_constant_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_length_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_length_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_repulsive_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_repulsive_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_torsion_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_torsion_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_torsion_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_torsion_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_torsion_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Binary_torsion_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
check_options(std::string &message) const | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinevirtual |
check_options(std::string &message) const | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinevirtual |
CMap_coefficients_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_1 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_1 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_2 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_2 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_3 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_3 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_4 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_4 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_5 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_5 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_6 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_6 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_7 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_7 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_8 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_coefficients_map_8 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_1 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_1 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_2 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_2 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_3 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_3 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_4 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_4 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_5 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_5 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_6 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_6 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_7 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_7 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_8 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
CMap_resolution_map_8 typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Covalent_structure typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Covalent_structure typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
delete_options(void) | T_Module_option_description< Dummy > | inlinestatic |
get_bond_angle_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_bond_angle_force_constant(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_bond_angle_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_bond_angle_force_constant(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_bond_length_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_bond_length_force_constant(const Covalent_structure &C, const typename Covalent_structure::Bond_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_bond_length_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_bond_length_force_constant(const Covalent_structure &C, const typename Covalent_structure::Bond_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_cmap_coefficients(const Covalent_structure &C, const Particle_rep &p1, const Particle_rep &p2, const Particle_rep &p3, const Particle_rep &p4, const Particle_rep &q1, const Particle_rep &q2, const Particle_rep &q3, const Particle_rep &q4) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_cmap_coefficients(const Covalent_structure &C, const Particle_rep &p1, const Particle_rep &p2, const Particle_rep &p3, const Particle_rep &p4, const Particle_rep &q1, const Particle_rep &q2, const Particle_rep &q3, const Particle_rep &q4) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_cmap_resolution(const Covalent_structure &C, const Particle_rep &p1, const Particle_rep &p2, const Particle_rep &p3, const Particle_rep &p4, const Particle_rep &q1, const Particle_rep &q2, const Particle_rep &q3, const Particle_rep &q4) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_cmap_resolution(const Covalent_structure &C, const Particle_rep &p1, const Particle_rep &p2, const Particle_rep &p3, const Particle_rep &p4, const Particle_rep &q1, const Particle_rep &q2, const Particle_rep &q3, const Particle_rep &q4) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_dielectric_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_dielectric_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_dihedral_coefficient(const Covalent_structure &C, const Particle_rep &p, unsigned i) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_dihedral_coefficient(const Covalent_structure &C, const Particle_rep &p, unsigned i) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_electrostatic_charge(const Covalent_structure &C, const Particle_rep &p) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_electrostatic_charge(const Covalent_structure &C, const Particle_rep &p) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_bond_angle(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_bond_angle(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_bond_angle(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_bond_angle(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_bond_length(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_bond_length(const Covalent_structure &C, const typename Covalent_structure::Bond_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_bond_length(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_bond_length(const Covalent_structure &C, const typename Covalent_structure::Bond_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_improper_angle(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_improper_angle(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_improper_angle(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_improper_angle(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_torsion_angles(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_torsion_angles(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_torsion_angles(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_torsion_angles(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_Urey_Bradley(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_Urey_Bradley(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_Urey_Bradley(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_equilibrium_Urey_Bradley(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_improper_angle_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_improper_angle_force_constant(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_improper_angle_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_improper_angle_force_constant(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_improper_angle_parameters(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_improper_angle_parameters(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_input_angle_unit(void) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_input_angle_unit(void) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_input_charge_unit(void) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_input_charge_unit(void) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_input_length_unit(void) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_input_length_unit(void) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_input_molar_energy_unit(void) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_input_molar_energy_unit(void) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_Lennard_Jones_attractive_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_Lennard_Jones_attractive_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_Lennard_Jones_epsilon_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_Lennard_Jones_epsilon_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_Lennard_Jones_repulsive_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_Lennard_Jones_repulsive_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_loader_instance_name(void) const | Loader_base | inline |
get_name(void) const | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinevirtual |
get_name(void) const | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinevirtual |
get_options(void) | T_Module_option_description< Dummy > | inlinestatic |
get_output_prefix(void) const | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinevirtual |
get_output_prefix(void) const | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinevirtual |
get_torsion_angle_force_constants(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_torsion_angle_force_constants(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_torsion_angle_force_constants(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_torsion_angle_force_constants(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_torsion_angle_number_of_periods(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_torsion_angle_number_of_periods(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_torsion_angle_parameters(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b, unsigned i) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_torsion_angle_parameters(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b, unsigned i) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_Urey_Bradley_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_Urey_Bradley_force_constant(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_Urey_Bradley_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
get_Urey_Bradley_force_constant(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
has_options(void) | T_Module_option_description< Dummy > | inlinestatic |
ignore_1_3_interactions(void) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
ignore_1_3_interactions(void) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
Index_to_type_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Index_to_type_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
initialize_options(const std::string &caption) | T_Module_option_description< Dummy > | inlinestatic |
load(unsigned verbose=0, std::ostream &out=std::cout) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinevirtual |
load(unsigned verbose=0, std::ostream &out=std::cout) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinevirtual |
Loader_base(void) | Loader_base | inline |
Name_to_index_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Name_to_index_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Particle_rep typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Particle_rep typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Quaternary_torsion_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Quaternary_torsion_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Quaternary_torsion_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Quaternary_torsion_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Quaternary_torsion_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Quaternary_torsion_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Quinternary_torsion_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Quinternary_torsion_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Quinternary_torsion_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Quinternary_torsion_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Quinternary_torsion_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Quinternary_torsion_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
s_bond_angle_force_constant | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_bond_length_force_constant | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_cmap_coefficients | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_cmap_resolutions | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_dag | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_dihedral_coefficients | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_electrostatic_charges | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_equilibrium_bond_angle | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_equilibrium_bond_length | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_equilibrium_improper_angle | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_equilibrium_torsion_angle | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_equilibrium_Urey_Bradley | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_file_name | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_fudge_LJ14_constant | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_fudge_LJ_constant | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_fudge_QQ14_constant | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_fudge_QQ_constant | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_ignore_1_3_interactions | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_improper_angle_force_constant | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_index_to_type | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_is_coulomb | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_is_degree | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_is_kilojoule | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_is_nanometer | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_Lennard_Jones_attractive_constants | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_Lennard_Jones_epsilon_constants | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_Lennard_Jones_repulsive_constants | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_Lennard_Jones_sigma_constants | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_name_to_index | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_nb_sse_types | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_secondary_structure | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_torsion_angle_force_constant | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
s_Urey_Bradley_force_constant | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | static |
Self typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Self typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
set_bond_angle_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_bond_angle_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_bond_length_force_constant(const std::string &p1, const std::string &p2, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_bond_length_force_constant(const std::string &p1, const std::string &p2, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_cmap_coefficients(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, const std::string &p5, const std::string &p6, const std::string &p7, const std::string &p8, const std::map< FT, std::map< FT, FT > > &coefficients) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_cmap_coefficients(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, const std::string &p5, const std::string &p6, const std::string &p7, const std::string &p8, const std::map< FT, std::map< FT, FT > > &coefficients) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_cmap_resolution(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, const std::string &p5, const std::string &p6, const std::string &p7, const std::string &p8, unsigned resolution) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_cmap_resolution(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, const std::string &p5, const std::string &p6, const std::string &p7, const std::string &p8, unsigned resolution) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_dihedral_coefficient(unsigned ss_rep, unsigned num_coeff, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_dihedral_coefficient(unsigned ss_rep, unsigned num_coeff, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_electrostatic_charge(unsigned index, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_electrostatic_charge(unsigned index, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_equilibrium_bond_angle(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_equilibrium_bond_angle(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_equilibrium_bond_length(const std::string &p1, const std::string &p2, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_equilibrium_bond_length(const std::string &p1, const std::string &p2, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_equilibrium_improper_angle(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_equilibrium_improper_angle(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_equilibrium_torsion_angle(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_equilibrium_torsion_angle(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_equilibrium_Urey_Bradley(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_equilibrium_Urey_Bradley(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_file_name(const std::string &file_name) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_file_name(const std::string &file_name) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_fudge_LJ14_constant(const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_fudge_LJ14_constant(const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_fudge_LJ_constant(const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_fudge_LJ_constant(const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_fudge_QQ14_constant(const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_fudge_QQ14_constant(const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_fudge_QQ_constant(const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_fudge_QQ_constant(const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_ignore_1_3_interactions(bool ignore_angles) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_ignore_1_3_interactions(bool ignore_angles) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_improper_angle_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_improper_angle_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_is_coulomb(bool is_coulomb) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_is_coulomb(bool is_coulomb) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_is_degree(bool is_degree) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_is_degree(bool is_degree) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_is_kilojoule(bool is_kilojoule) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_is_kilojoule(bool is_kilojoule) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_is_nanometer(bool is_nanometer) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_is_nanometer(bool is_nanometer) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_Lennard_Jones_attractive_constant(const std::string &p1, const std::string &p2, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_Lennard_Jones_attractive_constant(const std::string &p1, const std::string &p2, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_Lennard_Jones_epsilon_constant(unsigned index, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_Lennard_Jones_epsilon_constant(unsigned index, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_Lennard_Jones_repulsive_constant(const std::string &p1, const std::string &p2, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_Lennard_Jones_repulsive_constant(const std::string &p1, const std::string &p2, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_Lennard_Jones_sigma_constant(unsigned index, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_Lennard_Jones_sigma_constant(unsigned index, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_loader_instance_name(const std::string &loader_instance_name) | Loader_base | inline |
set_torsion_angle_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_torsion_angle_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_Urey_Bradley_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
set_Urey_Bradley_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v) | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | inlinestatic |
Ternary_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Ternary_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Ternary_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Ternary_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Ternary_length_energy_constant_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Ternary_length_energy_constant_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Ternary_length_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Ternary_length_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Ternary_torsion_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Ternary_torsion_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Ternary_torsion_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Ternary_torsion_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Ternary_torsion_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Ternary_torsion_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_attractive_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_attractive_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_charge_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_charge_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_coefficients_parameters_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_coefficients_parameters_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_energy_nonbonded_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_energy_nonbonded_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_length_energy_constant_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_length_energy_constant_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_length_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_length_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_length_nonbonded_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_length_nonbonded_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_repulsive_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_repulsive_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_torsion_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_torsion_angle_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_torsion_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_torsion_angle_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_torsion_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unary_torsion_energy_map typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unit_system_traits typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Unit_system_traits typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Wildcards_DAG typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
Wildcards_DAG typedef | T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > | |
~Loader_base(void) | Loader_base | inlinevirtual |