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root/OpenMD/trunk/src/UseTheForce/DUFF.cpp
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Comparing trunk/src/UseTheForce/DUFF.cpp (file contents):
Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 492 by chuckv, Wed Apr 13 20:36:45 2005 UTC

# Line 42 | Line 42
42  
43   #include "UseTheForce/DUFF.hpp"
44   #include "UseTheForce/DarkSide/lj_interface.h"
45 – #include "UseTheForce/DarkSide/charge_interface.h"
46 – #include "UseTheForce/DarkSide/dipole_interface.h"
45   #include "UseTheForce/DarkSide/sticky_interface.h"
46   #include "UseTheForce/ForceFieldFactory.hpp"
47   #include "io/DirectionalAtomTypesSectionParser.hpp"
48   #include "io/AtomTypesSectionParser.hpp"
49   #include "io/LennardJonesAtomTypesSectionParser.hpp"
50 < #include "io/ElectrostaticAtomTypesSectionParser.hpp"
50 > #include "io/ChargeAtomTypesSectionParser.hpp"
51 > #include "io/MultipoleAtomTypesSectionParser.hpp"
52   #include "io/StickyAtomTypesSectionParser.hpp"
53   #include "io/BondTypesSectionParser.hpp"
54   #include "io/BendTypesSectionParser.hpp"
# Line 76 | Line 75 | DUFF::DUFF(){
75      spMan_.push_back(new DirectionalAtomTypesSectionParser());
76      spMan_.push_back(new AtomTypesSectionParser());
77      spMan_.push_back(new LennardJonesAtomTypesSectionParser());
78 <    spMan_.push_back(new ElectrostaticAtomTypesSectionParser());
78 >    spMan_.push_back(new ChargeAtomTypesSectionParser());
79 >    spMan_.push_back(new MultipoleAtomTypesSectionParser());
80      spMan_.push_back(new StickyAtomTypesSectionParser());
81      spMan_.push_back(new BondTypesSectionParser());
82      spMan_.push_back(new BendTypesSectionParser());
# Line 100 | Line 100 | void DUFF::parse(const std::string& filename) {
100      for (at = atomTypeCont_.beginType(i); at != NULL; at = atomTypeCont_.nextType(i)) {
101          at->complete();
102      }
103 +
104 +    delete ffStream;
105      
106   }
107  
108 + DUFF::~DUFF(){
109 +        destroyLJTypes();
110 +        destroyStickyTypes();
111 + }
112   } //end namespace oopse

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