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root/OpenMD/branches/development/src/applications/nanoparticleBuilder/shapedLatticeRod.cpp
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Comparing branches/development/src/applications/nanoparticleBuilder/shapedLatticeRod.cpp (file contents):
Revision 1828 by gezelter, Wed Jan 9 19:59:00 2013 UTC vs.
Revision 1875 by gezelter, Fri May 17 14:41:42 2013 UTC

# Line 35 | Line 35
35   *                                                                      
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38 < * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39   * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40   * [4]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
# Line 82 | Line 82 | namespace OpenMD {
82     */
83    bool shapedLatticeRod::isInterior(Vector3d point){
84  
85 <    RealType x, y, z, distance, delta_z;
85 >    RealType x, y, z, distance;
86  
87      distance = 0;
88      
# Line 91 | Line 91 | namespace OpenMD {
91      z = point[2];
92      
93      if ( abs(z) >= rodLength_/2.0 ) {
94 <      delta_z = abs(z) - rodLength_/2.0;
94 >      RealType delta_z = abs(z) - rodLength_/2.0;
95        distance = sqrt((x*x) + (y*y) + (delta_z*delta_z));
96      } else {
97        distance = sqrt((x*x) + (y*y));

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