--- trunk/OOPSE/libmdtools/Integrator.hpp 2004/06/09 16:16:33 1254 +++ trunk/OOPSE/libmdtools/Integrator.hpp 2004/07/16 16:29:44 1330 @@ -22,7 +22,7 @@ const double tol = 1.0e-6; const int maxIteration = 300; const double tol = 1.0e-6; -class RattleFramework; +class VelVerletConsFramework; template class Integrator : public T { public: @@ -65,7 +65,7 @@ template class Integrator Molecule* molecules; int nMols; - RattleFramework* rattle; + VelVerletConsFramework* consFramework; //int isConstrained; // boolean to know whether the systems contains constraints. //int nConstrained; // counter for number of constraints @@ -91,8 +91,9 @@ typedef Integrator RealIntegrator; typedef Integrator RealIntegrator; // ansi instantiation -template class Integrator; +// template class Integrator; + template class NVE : public T { public: