mmm1d.hpp File Reference

MMM1D algorithm for long-range Coulomb interactions on the CPU. More...

#include "config/config.hpp"
#include "electrostatics/actor.hpp"
#include "Particle.hpp"
#include <utils/Vector.hpp>
#include <array>

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Classes
struct	CoulombMMM1D
	Parameters for the MMM1D electrostatic interaction. More...

Detailed Description

MMM1D algorithm for long-range Coulomb interactions on the CPU.

Implementation of the MMM1D method for the calculation of the electrostatic interaction in one-dimensionally periodic systems. For details on the method see MMM in general. The MMM1D method works only with the N-squared cell system since neither the near nor far formula can be decomposed.

MMM1D uses polygamma expansions for the near formula. The expansion of the polygamma functions is fairly easy and follows directly from [1]. For details, see [5].

Definition in file mmm1d.hpp.