2 #ifndef MCMD_MC_EXTERNAL_ENERGY_AVERAGE_H 3 #define MCMD_MC_EXTERNAL_ENERGY_AVERAGE_H 12 #include <mcMd/analyzers/util/AverageAnalyzer.h> 13 #include <mcMd/mcSimulation/McSystem.h> 47 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).
McExternalEnergyAverage averages of total external energy.