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* |
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* Created by Charles F. Vardeman II on 11/14/05. |
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* @author Charles F. Vardeman II |
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< |
* @version $Id: SCAtomTypesSectionParser.cpp,v 1.1 2005-11-14 21:29:27 chuckv Exp $ |
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> |
* @version $Id: SCAtomTypesSectionParser.cpp,v 1.2 2005-11-16 21:37:41 chuckv Exp $ |
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* |
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*/ |
50 |
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83 |
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scParam.alpha = tokenizer.nextTokenAsDouble(); |
84 |
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85 |
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86 |
– |
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87 |
– |
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86 |
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atomType->addProperty(new SCParamGenericData("SC", scParam)); |
87 |
< |
atomType->setLennardJones(); |
87 |
> |
atomType->setSC(); |
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}else { |
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sprintf(painCave.errMsg, "SCAtomTypesSectionParser Error: Atom Type [%s] is not created yet\n", atomTypeName.c_str()); |
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painCave.isFatal = 1; |