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root/OpenMD/branches/development/src/io/NonBondedInteractionsSectionParser.cpp
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Comparing branches/development/src/io/NonBondedInteractionsSectionParser.cpp (file contents):
Revision 1663 by gezelter, Tue Sep 13 14:12:54 2011 UTC vs.
Revision 1664 by gezelter, Tue Nov 22 14:37:41 2011 UTC

# Line 41 | Line 41
41  
42   #include "io/NonBondedInteractionsSectionParser.hpp"
43   #include "types/AtomType.hpp"
44 < #include "types/ShiftedMorseInteractionType.hpp"
44 > #include "types/MorseInteractionType.hpp"
45   #include "types/MAWInteractionType.hpp"
46   #include "types/LennardJonesInteractionType.hpp"
47 – #include "types/RepulsiveMorseInteractionType.hpp"
47   #include "types/RepulsivePowerInteractionType.hpp"
48   #include "UseTheForce/ForceField.hpp"
49   #include "utils/simError.h"
# Line 109 | Line 108 | namespace OpenMD {
108          RealType r0 = tokenizer.nextTokenAsDouble();
109          RealType D0 = tokenizer.nextTokenAsDouble();
110          RealType beta0 = tokenizer.nextTokenAsDouble();
111 <        interactionType = new ShiftedMorseInteractionType(D0, beta0, r0);
111 >        interactionType = new MorseInteractionType(D0, beta0, r0, mtShifted);
112        }
113        break;
114        
# Line 123 | Line 122 | namespace OpenMD {
122          RealType r0 = tokenizer.nextTokenAsDouble();
123          RealType D0 = tokenizer.nextTokenAsDouble();
124          RealType beta0 = tokenizer.nextTokenAsDouble();
125 <        interactionType = new RepulsiveMorseInteractionType(D0, beta0, r0);
125 >        interactionType = new MorseInteractionType(D0, beta0, r0, mtRepulsive);
126        }
127        break;
128        

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