Parameters for the Ewald summation. More...

#include <ewald_sum.h>

Public Attributes
double	alpha = 0.35
	Screening parameter (1/Angstrom).
int	kmax = 8
	Maximum reciprocal lattice index.
bool	include_dipole = true
	Include qmu + mumu corrections (DMACRYS does all three).

Detailed Description

Parameters for the Ewald summation.

Member Data Documentation

double occ::mults::EwaldParams::alpha = 0.35

Screening parameter (1/Angstrom).

bool occ::mults::EwaldParams::include_dipole = true

Include qmu + mumu corrections (DMACRYS does all three).

int occ::mults::EwaldParams::kmax = 8

Maximum reciprocal lattice index.

The documentation for this struct was generated from the following file: