--- trunk/OOPSE-2.0/src/integrators/NPrT.cpp 2005/05/20 16:01:38 2236 +++ trunk/OOPSE-2.0/src/integrators/NPrT.cpp 2005/05/20 19:27:03 2237 @@ -67,8 +67,8 @@ namespace oopse { double Axy = hmat(0,0) * hmat(1, 1); double sx = -hz * (press(0, 0) - targetPressure/OOPSEConstant::pressureConvert); double sy = -hz * (press(1, 1) - targetPressure/OOPSEConstant::pressureConvert); - eta(0,0) -= Axy * (sx - surfaceTension) / (NkBT*tb2); - eta(1,1) -= Axy * (sy - surfaceTension) / (NkBT*tb2); + eta(0,0) -= dt2* Axy * (sx - surfaceTension) / (NkBT*tb2); + eta(1,1) -= dt2* Axy * (sy - surfaceTension) / (NkBT*tb2); eta(2,2) += dt2 * instaVol * (press(2, 2) - targetPressure/OOPSEConstant::pressureConvert) / (NkBT*tb2); oldEta = eta; } @@ -80,8 +80,8 @@ namespace oopse { prevEta = eta; double sx = -hz * (press(0, 0) - targetPressure/OOPSEConstant::pressureConvert); double sy = -hz * (press(1, 1) - targetPressure/OOPSEConstant::pressureConvert); - eta(0,0) = oldEta(0, 0) - Axy * (sx -surfaceTension) / (NkBT*tb2); - eta(1,1) = oldEta(1, 1) - Axy * (sy -surfaceTension) / (NkBT*tb2); + eta(0,0) = oldEta(0, 0) - dt2 * Axy * (sx -surfaceTension) / (NkBT*tb2); + eta(1,1) = oldEta(1, 1) - dt2 * Axy * (sy -surfaceTension) / (NkBT*tb2); eta(2,2) = oldEta(2, 2) + dt2 * instaVol * (press(2, 2) - targetPressure/OOPSEConstant::pressureConvert) / (NkBT*tb2); }