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root/OpenMD/branches/devel_omp/src/UseTheForce/DUFF.cpp
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Comparing branches/development/src/UseTheForce/DUFF.cpp (file contents):
Revision 1467 by gezelter, Sat Jul 17 15:33:03 2010 UTC vs.
Revision 1485 by gezelter, Wed Jul 28 19:52:00 2010 UTC

# Line 41 | Line 41
41  
42  
43   #include "UseTheForce/DUFF.hpp"
44 – #include "UseTheForce/DarkSide/sticky_interface.h"
45 – #include "UseTheForce/DarkSide/gb_interface.h"
44   #include "UseTheForce/ForceFieldFactory.hpp"
45   #include "io/BaseAtomTypesSectionParser.hpp"
46   #include "io/DirectionalAtomTypesSectionParser.hpp"
# Line 85 | Line 83 | namespace OpenMD {
83  
84    void DUFF::parse(const std::string& filename) {
85      ifstrstream* ffStream;
88 –    bool hasGBtypes;
86  
87      ffStream = openForceFieldFile(filename);
88  
# Line 115 | Line 112 | namespace OpenMD {
112        at->complete();
113      }
114  
118 –    hasGBtypes = false;
119 –    for (at = atomTypeCont_.beginType(i); at != NULL;
120 –         at = atomTypeCont_.nextType(i)) {
121 –      if (at->isGayBerne())
122 –        hasGBtypes = true;
123 –    }
124 –    
115      int isError = 0;
116  
127 –    if (hasGBtypes) {
128 –      completeGBFF(&isError);
129 –    }
130 –
117      delete ffStream;
132 –    
118    }
119  
135 –  DUFF::~DUFF(){
136 –    destroyStickyTypes();
137 –    destroyGayBerneTypes();
138 –  }
120   } //end namespace OpenMD

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