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root/OpenMD/trunk/src/nonbonded/Sticky.cpp
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Comparing:
branches/development/src/nonbonded/Sticky.cpp (file contents), Revision 1767 by gezelter, Fri Jul 6 22:01:58 2012 UTC vs.
trunk/src/nonbonded/Sticky.cpp (file contents), Revision 1835 by gezelter, Tue Jan 15 16:32:54 2013 UTC

# Line 112 | Line 112 | namespace OpenMD {
112        mixer.rup  = 0.5 * ( sticky1.getRup() + sticky2.getRup() );
113        mixer.rbig = max(mixer.ru, mixer.rup);
114        mixer.w0  = sqrt( sticky1.getW0()   * sticky2.getW0()  );
115 <      mixer.v0  = sqrt( sticky1.getW0()   * sticky2.getV0()  );
115 >      mixer.v0  = sqrt( sticky1.getV0()   * sticky2.getV0()  );
116        mixer.v0p = sqrt( sticky1.getV0p()  * sticky2.getV0p() );
117        mixer.isPower = sticky1.isStickyPower() && sticky2.isStickyPower();
118  
# 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 328 | Line 330 | namespace OpenMD {
330          Vector3d fjj = A2trans * radcomj;
331          
332          // now assemble these with the radial-only terms:
333 <        
333 >      
334          *(idat.f1) += RealType(0.5) * ((v0*dsdr*w + v0p*dspdr*wp) * *(idat.d) /
335                                         *(idat.rij)  + fii - fjj);
336          

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