ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/branches/development/src/flucq/FluctuatingChargeNVT.hpp
(Generate patch)

Comparing branches/development/src/flucq/FluctuatingChargeNVT.hpp (file contents):
Revision 1739 by gezelter, Tue Jun 5 17:58:55 2012 UTC vs.
Revision 1850 by gezelter, Wed Feb 20 15:39:39 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 50 | Line 50 | namespace OpenMD {
50  
51    class FluctuatingChargeNVT : public FluctuatingChargePropagator {
52    public:
53 <    FluctuatingChargeNVT(SimInfo* info, ForceManager* forceMan);
53 >    FluctuatingChargeNVT(SimInfo* info);
54  
55      int getMaxIterationNumber() {
56        return maxIterNum_;
# Line 100 | Line 100 | namespace OpenMD {
100      RealType dt2_;
101      RealType dt_;
102      
103 <    Snapshot* currentSnapshot_;
103 >    Snapshot* snap;
104      Thermo thermo;
105 +
106    };
107  
108   }

Diff Legend

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