T_Molecular_potential_energy_torsion_angle_gradient_periodic< ConformationType, CovalentStructure, PotentialEnergyParameters > Class Template Reference

Defines the periodic gradient associated to the proper dihedral angle contribution. More...

#include <Molecular_potential_energy_gradient.hpp>

Detailed Description

template<class ConformationType, class CovalentStructure, class PotentialEnergyParameters>
class SBL::CSB::T_Molecular_potential_energy_torsion_angle_gradient_periodic< ConformationType, CovalentStructure, PotentialEnergyParameters >

Defines the periodic gradient associated to the proper dihedral angle contribution.

Note that if this gradient is used, 1-4 LJ special interactions have to be included (i.e interactions between first and fourth particles of a proper dihedral angle).

Template Parameters

ConformationType	The type of the input geometric conformation, as defined in the package ConformationTraits
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