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Comparing branches/development/src/flucq/FluctuatingChargeNVT.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 123 | Line 123 | namespace OpenMD {
123          cfrc = atom->getFlucQFrc();
124          cmass = atom->getChargeMass();      
125  
126 +        cerr << cpos << "\t" << cvel << "\t" << cfrc << "\t" << instTemp << "\t" <<chi << "\t" << integralOfChidt << "\n";
127          // velocity half step
128          cvel += dt2_ * cfrc / cmass - dt2_*chi*cvel;                    
129          // position whole step

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