| 44 |
|
* |
| 45 |
|
* Created by Charles F. Vardeman II on 11/14/05. |
| 46 |
|
* @author Charles F. Vardeman II |
| 47 |
< |
* @version $Id: SCAtomTypesSectionParser.cpp,v 1.3 2005-12-08 15:38:49 chuckv Exp $ |
| 47 |
> |
* @version $Id: SCAtomTypesSectionParser.cpp,v 1.4 2006-01-09 19:26:27 chuckv Exp $ |
| 48 |
|
* |
| 49 |
|
*/ |
| 50 |
|
|
| 82 |
|
scParam.n = tokenizer.nextTokenAsDouble(); |
| 83 |
|
scParam.alpha = tokenizer.nextTokenAsDouble(); |
| 84 |
|
|
| 85 |
< |
|
| 85 |
> |
|
| 86 |
> |
scParam.epsilon *= options_.getEnergyUnitScaling(); |
| 87 |
> |
scParam.alpha *= options_.getDistanceUnitScaling(); |
| 88 |
> |
|
| 89 |
> |
|
| 90 |
|
atomType->addProperty(new SCParamGenericData("SC", scParam)); |
| 91 |
|
atomType->setSC(); |
| 92 |
|
}else { |
