T_Molecular_potential_energy_bonded_contribution< ConformationType, CovalentStructure, PotentialEnergyParameters, EnergyBondedLengthsTerm, EnergyBondAnglesTerm, EnergyDihedralAnglesTerm > Class Template Reference

Contribution of all bonded energy terms to the potential energy function. More...

#include <Molecular_potential_energy_linear_structure.hpp>

Detailed Description

template<class ConformationType, class CovalentStructure, class PotentialEnergyParameters, class EnergyBondedLengthsTerm = T_Molecular_potential_energy_bond_length_term_harmonic<ConformationType, CovalentStructure, PotentialEnergyParameters>, class EnergyBondAnglesTerm = T_Molecular_potential_energy_bond_angle_term_harmonic<ConformationType, CovalentStructure, PotentialEnergyParameters>, class EnergyDihedralAnglesTerm = T_Molecular_potential_energy_torsion_angle_term_periodic<ConformationType, CovalentStructure, PotentialEnergyParameters>>
class SBL::CSB::T_Molecular_potential_energy_bonded_contribution< ConformationType, CovalentStructure, PotentialEnergyParameters, EnergyBondedLengthsTerm, EnergyBondAnglesTerm, EnergyDihedralAnglesTerm >

Contribution of all bonded energy terms to the potential energy function.

It combines the three contributions to the energy function related to bonded lengths, bonded angles and dihedral angles.

Template Parameters

ConformationType	The type of the input geometric conformation, as defined in the package Molecular_conformation
CovalentStructure	The type of the input covalent structure, as defined in the package Molecular_covalent_structure
PotentialEnergyParameters	Class defining the parameters of the associated force field as the class SBL::IO::T_Potential_energy_parameters
EnergyBondedLengthsTerm	model of term from bonded lengths.
EnergyBondAnglesTerm	model of term from bonded angles.
EnergyDihedralAnglesTerm	model of term from dihedral angles.
EnergyImproperAnglesTerm	model of term from improper angles.

It combines the three contributions to the energy function related to bonded lengths, bonded angles and torsion angles.

Template Parameters

CovalentStructure	The type of the input covalent structure, as defined in the package Molecular_covalent_structure.
PotentialEnergyParameters	Class defining the parameters of the associated force field as the class SBL::IO::T_Potential_energy_parameters