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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
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* [4] Vardeman & Gezelter, in progress (2009). |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * |
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* |
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– |
* |
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* NanoVolume.cpp |
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* |
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* Created by Charles F. Vardeman II on 14 Dec 2006. |
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* @author Charles F. Vardeman II |
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* @version $Id: NanoVolume.cpp,v 1.10 2009-11-25 20:01:59 gezelter Exp $ |
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* @version $Id$ |
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* |
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*/ |
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int i,j; |
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#ifdef HAVE_QHULL |
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// ConvexHull* thishull = new ConvexHull(); |
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AlphaHull* thishull = new AlphaHull(2.0); |
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//ConvexHull* thishull = new ConvexHull(); |
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AlphaHull* thishull = new AlphaHull(2.0); |
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#endif |
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DumpReader reader(info_, dumpFilename_); |