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root/group/trunk/OOPSE-4/src/UseTheForce/EAM_FF.cpp
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Comparing trunk/OOPSE-4/src/UseTheForce/EAM_FF.cpp (file contents):
Revision 2050 by gezelter, Fri Feb 18 15:58:22 2005 UTC vs.
Revision 2109 by tim, Thu Mar 10 20:28:17 2005 UTC

# Line 41 | Line 41
41  
42   #include "UseTheForce/EAM_FF.hpp"
43   #include "UseTheForce/DarkSide/lj_interface.h"
44 – #include "UseTheForce/DarkSide/charge_interface.h"
45 – #include "UseTheForce/DarkSide/dipole_interface.h"
44   #include "UseTheForce/DarkSide/sticky_interface.h"
45   #include "UseTheForce/ForceFieldFactory.hpp"
46   #include "io/DirectionalAtomTypesSectionParser.hpp"
47   #include "io/AtomTypesSectionParser.hpp"
48   #include "io/LennardJonesAtomTypesSectionParser.hpp"
49 < #include "io/ElectrostaticAtomTypesSectionParser.hpp"
49 > #include "io/ChargeAtomTypesSectionParser.hpp"
50 > #include "io/MultipoleAtomTypesSectionParser.hpp"
51   #include "io/EAMAtomTypesSectionParser.hpp"
52   #include "io/StickyAtomTypesSectionParser.hpp"
53   #include "io/BondTypesSectionParser.hpp"
# Line 76 | Line 75 | EAM_FF::EAM_FF(){
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 EAMAtomTypesSectionParser());
81      spMan_.push_back(new StickyAtomTypesSectionParser());
82      spMan_.push_back(new BondTypesSectionParser());
# Line 101 | Line 101 | void EAM_FF::parse(const std::string& filename) {
101      for (at = atomTypeCont_.beginType(i); at != NULL; at = atomTypeCont_.nextType(i)) {
102          at->complete();
103      }
104 <    
104 >
105 >    delete ffStream;
106   }
107  
108  

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