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root/OpenMD/trunk/src/io/MetalNonMetalInteractionsSectionParser.cpp
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Comparing trunk/src/io/MetalNonMetalInteractionsSectionParser.cpp (file contents):
Revision 1162 by chuckv, Thu Jul 12 23:21:00 2007 UTC vs.
Revision 1229 by chuckv, Mon Mar 3 17:14:37 2008 UTC

# Line 55 | Line 55 | namespace oopse {
55      stringToEnumMap_["MAW"] =  MAW;                
56      stringToEnumMap_["ShiftedMorse"] =  ShiftedMorse;                                
57      stringToEnumMap_["LennardJones"] = LennardJones;
58 <    stringToEnumMap_["RepulsiveMorse"] = LennardJones;
58 >    stringToEnumMap_["RepulsiveMorse"] = RepulsiveMorse;
59  
60    }
61  
# Line 73 | Line 73 | namespace oopse {
73      
74      std::string at1 = tokenizer.nextToken();
75      std::string at2 = tokenizer.nextToken();
76 <        MetalNonMetalInteractionTypeEnum nbit = getMetalNonMetalInteractionTypeEnum(tokenizer.nextToken());
76 >    std::string itype = tokenizer.nextToken();
77 >
78 >        MetalNonMetalInteractionTypeEnum nbit = getMetalNonMetalInteractionTypeEnum(itype);
79      nTokens -= 3;
80                  NonBondedInteractionType* interactionType;
81 <                
81 >        
82      //switch is a nightmare to maintain
83      switch(nbit) {
84      case MAW :
85 <                if (nTokens < 6) {
85 >                if (nTokens < 4) {
86                          sprintf(painCave.errMsg, "MetalNonMetalInteractionsSectionParser Error: Not enough tokens at line %d\n",
87                                  lineNo);
88                          painCave.isFatal = 1;
89                          simError();
90                  } else {
91 <                        RealType r0 = tokenizer.nextTokenAsDouble();
92 <                        RealType D0 = tokenizer.nextTokenAsDouble();
93 <                        RealType beta0 = tokenizer.nextTokenAsDouble();
92 <                        RealType betaH = tokenizer.nextTokenAsDouble();
93 <                        RealType gamma = tokenizer.nextTokenAsDouble();
91 >                        RealType r_e = tokenizer.nextTokenAsDouble();
92 >                        RealType D_e = tokenizer.nextTokenAsDouble();
93 >                        RealType beta = tokenizer.nextTokenAsDouble();
94                          RealType alpha = tokenizer.nextTokenAsDouble();                
95 <      interactionType = new MAWInteractionType(D0, beta0, r0, betaH, gamma, alpha);
95 >      interactionType = new MAWInteractionType(D_e, beta, r_e, alpha);
96                  }
97                  break;
98              

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