--- branches/development/src/nonbonded/LJ.cpp 2011/07/08 20:25:32 1587 +++ branches/development/src/nonbonded/LJ.cpp 2011/11/22 20:38:56 1665 @@ -36,7 +36,8 @@ * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). - * [4] Vardeman & Gezelter, in progress (2009). + * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). + * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ #include @@ -284,7 +285,7 @@ namespace OpenMD { myDerivC)*sigmai; (*(idat.pot))[VANDERWAALS_FAMILY] += *(idat.sw) * pot_temp; - *(idat.f1) = *(idat.d) * dudr / *(idat.rij); + *(idat.f1) += *(idat.d) * dudr / *(idat.rij); } return; }