ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/applications/staticProps/P2OrderParameter.hpp
(Generate patch)

Comparing trunk/src/applications/staticProps/P2OrderParameter.hpp (file contents):
Revision 1817 by gezelter, Wed Dec 12 19:05:43 2012 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 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   * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
# Line 54 | Line 54 | namespace OpenMD {
54                       const string& sele1);
55      P2OrderParameter(SimInfo* info, const string& filename,
56                       const string& sele1, const string& sele2);
57 +    P2OrderParameter(SimInfo* info, const string& filename,
58 +                     const string& sele1, const int seleOffset);
59      virtual void process();
60      
61    private:
# Line 69 | Line 71 | namespace OpenMD {
71      Snapshot* currentSnapshot_;
72      
73      bool doVect_;
74 +    bool doOffset_;
75      string selectionScript1_;
76      string selectionScript2_;
77      SelectionManager seleMan1_;
78      SelectionManager seleMan2_;      
79      SelectionEvaluator evaluator1_;
80      SelectionEvaluator evaluator2_;
81 +    int seleOffset_;
82 +
83      vector<OrderParam> orderParams_;
84      
85    };

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines