| # | Line 71 | Line 71 | void LennardJonesAtomTypesSectionParser::parseLine(For | |
|---|---|---|
| 71 | ljParam.sigma = tokenizer.nextTokenAsDouble(); | |
| 72 | atomType->addProperty(new LJParamGenericData("LennardJones", ljParam)); | |
| 73 | atomType->setLennardJones(); | |
| 74 | + | }else { |
| 75 | + | sprintf(painCave.errMsg, "LennardJonesAtomTypesSectionParser Error: Atom Type [%s] is not created yet\n", atomTypeName.c_str()); |
| 76 | + | painCave.isFatal = 1; |
| 77 | + | simError(); |
| 78 | } | |
| 79 | ||
| 80 | } | |
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