1 #ifndef MCMD_SPECIAL_POTENTIAL_H 2 #define MCMD_SPECIAL_POTENTIAL_H 11 #include <util/param/ParamComposite.h> 12 #include <mcMd/potentials/misc/EnergyCalculator.h> 13 #include <mcMd/potentials/misc/StressCalculator.h> 39 virtual void addForces() = 0;
Specialized potential for an MD simulation.
Interface for a class that calculates a total energy.
Utility classes for scientific computation.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
An object that can read multiple parameters from file.
Interface for a stress calculator.