--- trunk/src/brains/Register.cpp 2010/11/24 17:40:12 1526 +++ trunk/src/brains/Register.cpp 2011/08/08 18:53:40 1604 @@ -64,6 +64,7 @@ #include "minimizers/SDMinimizer.hpp" #include "UseTheForce/DUFF.hpp" #include "UseTheForce/EAM_FF.hpp" +#include "UseTheForce/EADM_FF.hpp" #include "UseTheForce/ForceFieldFactory.hpp" #include "UseTheForce/ForceFieldCreator.hpp" #include "UseTheForce/SHAPES_FF.hpp" @@ -86,6 +87,7 @@ namespace OpenMD { ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("LJ")); //in theory, EAM can also be merged ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("EAM")); + ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("EADM")); //heck, that worked... let's try merging SHAPES ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("SHAPES")); //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not). @@ -114,6 +116,7 @@ namespace OpenMD { #if defined(HAVE_QHULL) IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("LHULL")); IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("LANGEVINHULL")); + IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("SMIPD")); #endif }