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root/group/trunk/OOPSE-4/src/UseTheForce/ForceField.cpp
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Comparing trunk/OOPSE-4/src/UseTheForce/ForceField.cpp (file contents):
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 2722 by gezelter, Thu Apr 20 18:24:24 2006 UTC

# Line 50 | Line 50 | namespace oopse {
50   #include "UseTheForce/ForceField.hpp"
51   #include "utils/simError.h"
52   #include "UseTheForce/DarkSide/atype_interface.h"
53 + #include "UseTheForce/DarkSide/fForceOptions_interface.h"
54 + #include "UseTheForce/DarkSide/switcheroo_interface.h"
55   namespace oopse {
56  
57    ForceField::ForceField() {
# Line 67 | Line 69 | namespace oopse {
69  
70    ForceField::~ForceField() {
71      deleteAtypes();
72 +    deleteSwitch();
73    }
74  
75    AtomType* ForceField::getAtomType(const std::string &at) {
# Line 252 | Line 255 | namespace oopse {
255  
256    }
257  
258 +  void ForceField::setFortranForceOptions(){
259 +    ForceOptions theseFortranOptions;
260 +    forceFieldOptions_.makeFortranOptions(theseFortranOptions);
261 +    setfForceOptions(&theseFortranOptions);
262 +  }
263   } //end namespace oopse

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