| 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", |