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Comparing branches/development/src/hydrodynamics/HydroProp.cpp (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 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).          
39 < * [4]  Vardeman & Gezelter, in progress (2009).                        
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39 > * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 > * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
42  
43   #include "hydrodynamics/HydroProp.hpp"
# Line 45 | Line 46 | namespace OpenMD {
46  
47   namespace OpenMD {
48    
49 <  HydroProp::HydroProp(){    
49 <    hasCOR = false;
50 <    hasXi = false;
49 >  HydroProp::HydroProp() : hasCOR(false), hasXi(false) {    
50    }
51    
52 <  HydroProp::HydroProp(Vector3d cor, Mat6x6d Xi, Mat6x6d D) : cor_(cor), Xi_(Xi), D_(D){
53 <    hasCOR = true;
54 <    hasXi = true;
52 >  HydroProp::HydroProp(Vector3d cor, Mat6x6d Xi, Mat6x6d D) : cor_(cor),
53 >                                                              Xi_(Xi), D_(D),
54 >                                                              hasCOR(true),
55 >                                                              hasXi(true) {
56    }
57    
58 <  HydroProp::HydroProp(const std::string frictionLine) {
58 >  HydroProp::HydroProp(const std::string &frictionLine) : hasCOR(false),
59 >                                                          hasXi(false) {
60      
61      StringTokenizer tokenizer(frictionLine);
62      if (tokenizer.countTokens() >= 40) {
# Line 64 | Line 65 | namespace OpenMD {
65        cor_[1] = tokenizer.nextTokenAsDouble();
66        cor_[2] = tokenizer.nextTokenAsDouble();
67        
68 +      hasCOR = true;
69 +
70        Xitt_(0,0) = tokenizer.nextTokenAsDouble();
71        Xitt_(0,1) = tokenizer.nextTokenAsDouble();
72        Xitt_(0,2) = tokenizer.nextTokenAsDouble();
# Line 109 | Line 112 | namespace OpenMD {
112        Xi_.setSubMatrix(3, 0, Xitr_);
113        Xi_.setSubMatrix(3, 3, Xirr_);
114  
115 +      hasXi = true;
116 +
117        CholeskyDecomposition(Xi_, S_);            
118  
119      }

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