--- trunk/src/UseTheForce/ForceField.cpp 2009/11/25 20:02:06 1390 +++ branches/development/src/UseTheForce/ForceField.cpp 2010/12/29 19:59:21 1532 @@ -51,15 +51,13 @@ #include "UseTheForce/ForceField.hpp" #include "utils/simError.h" #include "utils/Tuple.hpp" -#include "UseTheForce/DarkSide/atype_interface.h" -#include "UseTheForce/DarkSide/fForceOptions_interface.h" -#include "UseTheForce/DarkSide/switcheroo_interface.h" namespace OpenMD { ForceField::ForceField() { + char* tempPath; tempPath = getenv("FORCE_PARAM_PATH"); - + if (tempPath == NULL) { //convert a macro from compiler to a string in c++ STR_DEFINE(ffPath_, FRC_PATH ); @@ -68,12 +66,6 @@ namespace OpenMD { } } - - ForceField::~ForceField() { - deleteAtypes(); - deleteSwitch(); - } - AtomType* ForceField::getAtomType(const std::string &at) { std::vector keys; keys.push_back(at); @@ -630,9 +622,4 @@ namespace OpenMD { return ffStream; } - void ForceField::setFortranForceOptions(){ - ForceOptions theseFortranOptions; - forceFieldOptions_.makeFortranOptions(theseFortranOptions); - setfForceOptions(&theseFortranOptions); - } } //end namespace OpenMD