35 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
36 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
37 |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
38 |
< |
* [4] Vardeman & Gezelter, in progress (2009). |
39 |
< |
* |
38 |
> |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
39 |
> |
* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * |
40 |
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* |
41 |
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* ConvexHull.cpp |
42 |
|
* |
274 |
|
|
275 |
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face.addVertices(p[0], p[1], p[2]); |
276 |
|
face.setFacetMass(faceMass); |
277 |
< |
face.setFacetVelocity(faceVel/3.0); |
277 |
> |
face.setFacetVelocity(faceVel / RealType(3.0)); |
278 |
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/* |
279 |
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RealType comparea = face.computeArea(); |
280 |
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realT calcarea = qh_facetarea (facet); |