--- trunk/src/integrators/DLM.cpp 2010/05/10 17:28:26 1442 +++ trunk/src/integrators/DLM.cpp 2013/06/17 18:28:30 1880 @@ -35,8 +35,9 @@ * * [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). + * [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). */ #include "DLM.hpp" @@ -77,7 +78,6 @@ namespace OpenMD { // rotate about the z-axis angle = dt * ji[2] / I(2, 2); - sd->addZangle(angle); rotateStep( 0, 1, angle, ji, A); // rotate about the y-axis