1 #ifndef MCMD_MC_ENERGY_AVERAGE_H     2 #define MCMD_MC_ENERGY_AVERAGE_H    11 #include <mcMd/analyzers/util/AverageAnalyzer.h>      12 #include <mcMd/mcSimulation/McSystem.h>                   42       virtual void sample(
long iStep);
 A System for use in a Markov chain Monte Carlo simulation. 
 
Utility classes for scientific computation. 
 
AverageAnalyzer averages of total potential energy. 
 
Single-processor Monte Carlo (MC) and molecular dynamics (MD). 
 
McEnergyAverage averages of total potential energy.