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root/group/trunk/OOPSE-4/src/UseTheForce/DUFF.cpp
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Comparing trunk/OOPSE-4/src/UseTheForce/DUFF.cpp (file contents):
Revision 2367 by kdaily, Fri Oct 14 15:44:37 2005 UTC vs.
Revision 2448 by tim, Wed Nov 16 23:10:02 2005 UTC

# Line 56 | Line 56
56   #include "io/BondTypesSectionParser.hpp"
57   #include "io/BendTypesSectionParser.hpp"
58   #include "io/TorsionTypesSectionParser.hpp"
59 + #include "io/OptionSectionParser.hpp"
60   #include "UseTheForce/ForceFieldCreator.hpp"
61  
62   namespace oopse {
# Line 77 | Line 78 | namespace oopse {
78      //parsers. Make sure they are added after DirectionalAtomTypesSectionParser
79      //and AtomTypesSectionParser. The order of BondTypesSectionParser,
80      //BendTypesSectionParser and TorsionTypesSectionParser are not important.
81 +    spMan_.push_back(new OptionSectionParser(forceFieldOptions_));    
82      spMan_.push_back(new DirectionalAtomTypesSectionParser());
83      spMan_.push_back(new AtomTypesSectionParser());
84      spMan_.push_back(new LennardJonesAtomTypesSectionParser());
# Line 111 | Line 113 | namespace oopse {
113      }
114  
115      int isError = 0;
114 –    completeGayBerneFF(&isError);
116  
117      delete ffStream;
118      

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