8 #include "McBondEnergyAverage.h" 9 #include <mcMd/potentials/bond/BondPotential.h> A System for use in a Markov chain Monte Carlo simulation.
std::ofstream outputFile_
Output file stream.
virtual void sample(long iStep)
Evaluate total bond energy, and add to ensemble.
McSystem & system()
Return reference to parent system.
Utility classes for scientific computation.
Average accumulator_
Average object - statistical accumulator.
AverageAnalyzer averages of total potential energy.
McBondEnergyAverage(McSystem &system)
Constructor.
void sample(double value)
Add a sampled value to the ensemble.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
void setClassName(const char *className)
Set class name string.