bonded_coulomb_sr.hpp File Reference

Routines to calculate the short-range part of the bonded Coulomb potential between particle pairs. More...

#include "config/config.hpp"
#include "Particle.hpp"
#include <utils/Vector.hpp>
#include <boost/optional.hpp>
#include <cmath>
#include <functional>

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Classes
struct	BondedCoulombSR
	Parameters for Coulomb bond short-range Potential. More...

Detailed Description

Routines to calculate the short-range part of the bonded Coulomb potential between particle pairs.

Can be used to subtract certain intramolecular interactions in combination with Thole damping.

Definition in file bonded_coulomb_sr.hpp.