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root/group/trunk/OOPSE-2.0/src/UseTheForce/DUFF.cpp
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Comparing trunk/OOPSE-2.0/src/UseTheForce/DUFF.cpp (file contents):
Revision 2220 by chrisfen, Thu May 5 14:47:35 2005 UTC vs.
Revision 2367 by kdaily, Fri Oct 14 15:44:37 2005 UTC

# Line 43 | Line 43
43   #include "UseTheForce/DUFF.hpp"
44   #include "UseTheForce/DarkSide/lj_interface.h"
45   #include "UseTheForce/DarkSide/sticky_interface.h"
46 + #include "UseTheForce/DarkSide/gb_interface.h"
47   #include "UseTheForce/ForceFieldFactory.hpp"
48   #include "io/DirectionalAtomTypesSectionParser.hpp"
49   #include "io/AtomTypesSectionParser.hpp"
# Line 51 | Line 52
52   #include "io/MultipoleAtomTypesSectionParser.hpp"
53   #include "io/StickyAtomTypesSectionParser.hpp"
54   #include "io/StickyPowerAtomTypesSectionParser.hpp"
55 + #include "io/GayBerneAtomTypesSectionParser.hpp"
56   #include "io/BondTypesSectionParser.hpp"
57   #include "io/BendTypesSectionParser.hpp"
58   #include "io/TorsionTypesSectionParser.hpp"
# Line 82 | Line 84 | namespace oopse {
84      spMan_.push_back(new MultipoleAtomTypesSectionParser());
85      spMan_.push_back(new StickyAtomTypesSectionParser());
86      spMan_.push_back(new StickyPowerAtomTypesSectionParser());
87 +    spMan_.push_back(new GayBerneAtomTypesSectionParser());
88      spMan_.push_back(new BondTypesSectionParser());
89      spMan_.push_back(new BendTypesSectionParser());
90      spMan_.push_back(new TorsionTypesSectionParser());
# Line 107 | Line 110 | namespace oopse {
110        at->complete();
111      }
112  
113 +    int isError = 0;
114 +    completeGayBerneFF(&isError);
115 +
116      delete ffStream;
117      
118    }
# Line 114 | Line 120 | namespace oopse {
120    DUFF::~DUFF(){
121      destroyLJTypes();
122      destroyStickyTypes();
123 +    destroyGayBerneTypes();
124    }
125   } //end namespace oopse

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