1 #ifndef MCMD_EXTERNAL_POTENTIAL_H     2 #define MCMD_EXTERNAL_POTENTIAL_H    11 #include <mcMd/potentials/misc/EnergyCalculator.h>       12 #include <util/param/ParamComposite.h>                   44       {  setClassName(
"ExternalPotential"); }
    62       virtual double energy(
const Vector& position, 
int i) 
const = 0;
    71       virtual void getForce(
const Vector& position, 
int type, 
Vector& force) 
const = 0;
    76       virtual std::string interactionClassName() 
const = 0;
    85       virtual void addForces() = 0;
    92       virtual double atomEnergy(
const Atom& atom) 
const = 0;
    95       using EnergyCalculator::energy;
 A Vector is a Cartesian vector. 
 
virtual ~ExternalPotential()
Destructor (does nothing) 
 
ExternalPotential()
Constructor . 
 
Abstract External Potential class. 
 
Interface for a class that calculates a total energy. 
 
A point particle within a Molecule. 
 
Utility classes for scientific computation. 
 
Single-processor Monte Carlo (MC) and molecular dynamics (MD). 
 
An object that can read multiple parameters from file.