110 |
|
} |
111 |
|
break; |
112 |
|
|
113 |
+ |
case RepulsiveMorse : |
114 |
+ |
if (nTokens < 3) { |
115 |
+ |
sprintf(painCave.errMsg, "MetalNonMetalInteractionsSectionParser Error: Not enough tokens at line %d\n", |
116 |
+ |
lineNo); |
117 |
+ |
painCave.isFatal = 1; |
118 |
+ |
simError(); |
119 |
+ |
} else { |
120 |
+ |
RealType r0 = tokenizer.nextTokenAsDouble(); |
121 |
+ |
RealType D0 = tokenizer.nextTokenAsDouble(); |
122 |
+ |
RealType beta0 = tokenizer.nextTokenAsDouble(); |
123 |
+ |
interactionType = new RepulsiveMorseInteractionType(D0, beta0, r0); |
124 |
+ |
} |
125 |
+ |
break; |
126 |
+ |
|
127 |
|
case LennardJones : |
128 |
|
if (nTokens < 2) { |
129 |
|
sprintf(painCave.errMsg, "MetalNonMetalInteractionsSectionParser Error: Not enough tokens at line %d\n", |