--- branches/development/src/nonbonded/SwitchingFunction.cpp 2011/11/22 20:38:56 1665 +++ trunk/src/nonbonded/SwitchingFunction.cpp 2013/07/01 21:09:37 1895 @@ -35,7 +35,7 @@ * * [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). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ @@ -159,9 +159,7 @@ namespace OpenMD { } else { in_switching_region = true; r = sqrt(r2); - pair result = switchSpline_->getValueAndDerivativeAt(r); - sw = result.first; - dswdr = result.second; + switchSpline_->getValueAndDerivativeAt(r, sw, dswdr); } } return in_switching_region;