35 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
36 |
|
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
37 |
|
* [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 |
|
* |
41 |
|
* AlphaHull.cpp |
42 |
|
* |
358 |
|
facetlist.push_back(virtexlist); |
359 |
|
face.addVertices(p[0],p[1],p[2]); |
360 |
|
face.setFacetMass(faceMass); |
361 |
< |
face.setFacetVelocity(faceVel/3.0); |
361 |
> |
face.setFacetVelocity(faceVel / RealType(3.0)); |
362 |
|
|
363 |
|
RealType area = face.getArea(); |
364 |
|
area_ += area; |