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root/OpenMD/trunk/src/brains/ForceField.cpp
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Comparing:
trunk/src/UseTheForce/ForceField.cpp (file contents), Revision 1460 by gezelter, Wed Jul 7 15:04:32 2010 UTC vs.
branches/development/src/UseTheForce/ForceField.cpp (file contents), Revision 1532 by gezelter, Wed Dec 29 19:59:21 2010 UTC

# Line 51 | Line 51
51   #include "UseTheForce/ForceField.hpp"
52   #include "utils/simError.h"
53   #include "utils/Tuple.hpp"
54 – #include "UseTheForce/DarkSide/atype_interface.h"
55 – #include "UseTheForce/DarkSide/fForceOptions_interface.h"
56 – #include "UseTheForce/DarkSide/switcheroo_interface.h"
54   namespace OpenMD {
55  
56    ForceField::ForceField() {
# Line 67 | Line 64 | namespace OpenMD {
64      } else {
65        ffPath_ = tempPath;
66      }
70 –  }
71 –
72 –
73 –  ForceField::~ForceField() {
74 –    deleteAtypes();
75 –    deleteSwitch();
67    }
68  
69    AtomType* ForceField::getAtomType(const std::string &at) {
# Line 631 | Line 622 | namespace OpenMD {
622      return ffStream;
623    }
624  
634 –  void ForceField::setFortranForceOptions(){
635 –    ForceOptions theseFortranOptions;
636 –    forceFieldOptions_.makeFortranOptions(theseFortranOptions);
637 –    setfForceOptions(&theseFortranOptions);
638 –  }
625   } //end namespace OpenMD

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