1 #ifndef MCMD_ENERGY_CALCULATOR_H 2 #define MCMD_ENERGY_CALCULATOR_H 11 #include <util/misc/Setable.h> 31 virtual void computeEnergy() = 0;
36 virtual void unsetEnergy();
Interface for a class that calculates a total energy.
Utility classes for scientific computation.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).