2 #ifndef MCMD_MC_ENERGY_PERTURBATION_H 3 #define MCMD_MC_ENERGY_PERTURBATION_H 12 #include <mcMd/perturb/LinearPerturbation.h> 80 #endif // ifndef ENERGY_PERTURBATION_H 81 #endif // ifdef MCMD_PERTURB A System for use in a Markov chain Monte Carlo simulation.
virtual void readParameters(std::istream &in)
Read beta parameter (inverse temperature) from file.
McEnergyPerturbation(McSystem &system, int size, int rank)
Constructor.
A Perturbation that is a linear function of a parameter.
virtual double parameter(int i) const
Get inverse temperature of the parent system.
A Perturbation with a variable inverse temperature.
virtual double derivative(int i) const
Get derivative of the Boltzmann weight with respect to the perturbation parameter.
McSystem & system() const
Get the associated System by reference.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
virtual void setParameter()
Set inverse temperature of the parent system.