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.