--- trunk/src/integrators/DLM.cpp 2013/06/16 15:15:42 1879 +++ trunk/src/integrators/DLM.cpp 2013/06/17 18:28:30 1880 @@ -108,7 +108,7 @@ namespace OpenMD { RotMat3x3d rot = RotMat3x3d::identity(); // initalize rot as a unit matrix // use a small angle aproximation for sin and cosine - + angleSqr = angle * angle; angleSqrOver4 = angleSqr / 4.0; top = 1.0 - angleSqrOver4; @@ -116,11 +116,10 @@ namespace OpenMD { cosAngle = top / bottom; sinAngle = angle / bottom; - + // or don't use the small angle approximation: //cosAngle = cos(angle); //sinAngle = sin(angle); - rot(axes1, axes1) = cosAngle; rot(axes2, axes2) = cosAngle;