ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/branches/development/src/integrators/Integrator.cpp
(Generate patch)

Comparing branches/development/src/integrators/Integrator.cpp (file contents):
Revision 1764 by gezelter, Tue Jul 3 18:32:27 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 43 | Line 43
43   #include "brains/Snapshot.hpp"
44   #include "integrators/Integrator.hpp"
45   #include "integrators/DLM.hpp"
46 + #include "flucq/FluctuatingChargeLangevin.hpp"
47   #include "flucq/FluctuatingChargeNVT.hpp"
48   #include "utils/simError.h"
49  
# Line 142 | Line 143 | namespace OpenMD {
143      
144      rotAlgo_ = new DLM();
145      rattle_ = new Rattle(info);
146 <    flucQ_ = new FluctuatingChargeNVT(info);
146 >    flucQ_ = new FluctuatingChargeLangevin(info);
147      flucQ_->setForceManager(forceMan_);
148    }
149    

Diff Legend

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