--- trunk/OOPSE/libmdtools/Integrator.hpp 2003/03/27 20:12:15 423 +++ trunk/OOPSE/libmdtools/Integrator.hpp 2003/04/07 14:30:36 466 @@ -6,11 +6,12 @@ #include "AbstractClasses.hpp" #include "SimInfo.hpp" #include "ForceFields.hpp" +#include "ExtendedSystem.hpp" class Verlet : public Integrator { public: - Verlet( SimInfo &info, ForceFields* the_ff ); + Verlet( SimInfo &info, ForceFields* the_ff, ExtendedSystem* the_es ); ~Verlet(); void integrate( void ); @@ -20,6 +21,7 @@ class Verlet : public Integrator { (private) void move_b( double dt ); ForceFields* myFF; + ExtendedSystem* myES; SimInfo *entry_plug; // all the info we'll ever need int c_natoms; /* the number of atoms */ @@ -43,7 +45,9 @@ class Symplectic : public Integrator { (public) class Symplectic : public Integrator { public: - Symplectic( SimInfo* the_entry_plug, ForceFields* the_ff ); + Symplectic( SimInfo* the_entry_plug, + ForceFields* the_ff, + ExtendedSystem* the_es); ~Symplectic(); void integrate( void ); @@ -55,6 +59,7 @@ class Symplectic : public Integrator { (public) SimInfo* entry_plug; ForceFields* myFF; + ExtendedSystem* myES; Molecule* molecules; int nMols;