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 ConformationTraits
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