Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
T_Molecular_potential_energy_electrostatic_gradient< ConformationType, CovalentStructure, PotentialEnergyParameters > Class Template Reference

Defines a standard gradient associated to the electrostatic contribution. More...

#include <Molecular_potential_energy_gradient.hpp>

Detailed Description

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

Defines a standard gradient associated to the electrostatic contribution.

Defines a standard gradient associated to the electrostatic contribution.

Template Parameters
ConformationTypeThe type of the input geometric conformation, as defined in the package Molecular_conformation
CovalentStructureThe type of the input covalent structure, as defined in the package Molecular_covalent_structure
PotentialEnergyParametersClass defining the parameters of the associated force field as the class SBL::IO::T_Potential_energy_parameters