--- trunk/src/UseTheForce/ForceField.cpp 2005/12/28 21:42:43 821 +++ trunk/src/UseTheForce/ForceField.cpp 2006/05/17 21:51:42 963 @@ -51,6 +51,7 @@ #include "utils/simError.h" #include "UseTheForce/DarkSide/atype_interface.h" #include "UseTheForce/DarkSide/fForceOptions_interface.h" +#include "UseTheForce/DarkSide/switcheroo_interface.h" namespace oopse { ForceField::ForceField() { @@ -68,6 +69,7 @@ namespace oopse { ForceField::~ForceField() { deleteAtypes(); + deleteSwitch(); } AtomType* ForceField::getAtomType(const std::string &at) { @@ -187,10 +189,10 @@ namespace oopse { return torsionTypeCont_.add(keys, torsionType); } - double ForceField::getRcutFromAtomType(AtomType* at) { + RealType ForceField::getRcutFromAtomType(AtomType* at) { /**@todo */ GenericData* data; - double rcut = 0.0; + RealType rcut = 0.0; if (at->isLennardJones()) { data = at->getPropertyByName("LennardJones");