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Comparing branches/development/src/nonbonded/Sticky.cpp (file contents):
Revision 1833 by gezelter, Tue Jan 15 16:28:22 2013 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 233 | Line 233 | namespace OpenMD {
233            }
234          }
235          
236 +
237          RealType wi = 2.0*(xi2-yi2)*zi / r3;
238          RealType wj = 2.0*(xj2-yj2)*zj / r3;
239          RealType w = wi+wj;
# Line 284 | Line 285 | namespace OpenMD {
285                          0.0);
286          
287          if (isPower) {
288 +          cerr << "This is probably an error!\n";
289            RealType frac1 = 0.25;
290            RealType frac2 = 0.75;      
291            RealType wi2 = wi*wi;
# Line 330 | Line 332 | namespace OpenMD {
332          Vector3d fjj = A2trans * radcomj;
333          
334          // now assemble these with the radial-only terms:
335 <        
335 >      
336          *(idat.f1) += RealType(0.5) * ((v0*dsdr*w + v0p*dspdr*wp) * *(idat.d) /
337                                         *(idat.rij)  + fii - fjj);
338          

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