1 #ifndef MCMD_MC_COULOMB_POTENTIAL_H 2 #define MCMD_MC_COULOMB_POTENTIAL_H 11 #include "CoulombPotential.h" 46 virtual double kspaceAtomEnergy(
const Atom& atom)
const = 0;
A set of interacting Molecules enclosed by a Boundary.
A point particle within a Molecule.
Utility classes for scientific computation.
Long-range part of Coulomb potential for MC.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).