1 #ifndef MCMD_MD_PAIR_POTENTIAL_H 2 #define MCMD_MD_PAIR_POTENTIAL_H 11 #include <mcMd/potentials/pair/PairPotential.h> 12 #include <mcMd/simulation/SystemInterface.h> 13 #include <mcMd/neighbor/PairList.h> 15 #include <util/param/ParamComposite.h> 60 virtual void addForces() = 0;
82 bool isPairListCurrent();
87 void clearPairListStatistics();
108 inline const PairList& MdPairPotential::pairList()
const 109 {
return pairList_; }
An interface to a System.
A set of interacting Molecules enclosed by a Boundary.
File containing preprocessor macros for error handling.
Utility classes for scientific computation.
PairList pairList_
Verlet neighbor pair list for nonbonded interactions.
An PairPotential for MD simulation.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
Interface for a Pair Potential.
An object that can read multiple parameters from file.