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Comparing branches/development/src/lattice/shapedLattice.cpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1875 by gezelter, Fri May 17 14:41:42 2013 UTC

# Line 34 | Line 34
34   *                                                                      
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] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
39 < * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
37 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
38 > * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
39 > * [4]  Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
40   *
41   *  sphericalLattice.cpp
42   *
43   *  Created by Charles F. Vardeman II on 17 Feb 2006.
44 + *  Edited by Kelsey M. Stocker on 23 Feb 2012.
45   *  @author  Charles F. Vardeman II
46   *  @version $Id$
47   *
# Line 52 | Line 53
53   #include "brains/Register.hpp"
54   #include "lattice/LatticeFactory.hpp"
55  
56 + using namespace std;
57   namespace OpenMD{
58 <  shapedLattice::shapedLattice(RealType latticeConstant,
59 <                               std::string latticeType) {
60 <    latticeConstant_ = latticeConstant;
59 <    latticeType_ = latticeType;
58 >  shapedLattice::shapedLattice(RealType latticeConstant, string latticeType)
59 >  : latticeConstant_(latticeConstant), latticeType_(latticeType) {
60 >
61      registerLattice();
62      simpleLattice_ = LatticeFactory::getInstance()->createLattice(latticeType);
63      if (simpleLattice_ == NULL){
# Line 80 | Line 81 | namespace OpenMD{
81      endNx_ = (int) ceil(0.5*dimension_[0]/latticeConstant_);
82      endNy_ = (int) ceil(0.5*dimension_[1]/latticeConstant_);
83      endNz_ = (int) ceil(0.5*dimension_[2]/latticeConstant_);  
84 +    std::cerr << "begin = " << beginNx_ << " " << beginNy_ << " " << beginNz_ << "\n";
85 +    std::cerr << "end = " << endNx_ << " " << endNy_ << " " << endNz_ << "\n";
86      sitesComputed_ = false;  
87    }
88  

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