--- trunk/src/integrators/DLM.cpp 2010/05/10 17:28:26 1442 +++ trunk/src/integrators/DLM.cpp 2012/03/16 21:17:36 1697 @@ -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; @@ -116,10 +116,11 @@ namespace OpenMD { cosAngle = top / bottom; sinAngle = angle / bottom; - + */ // or don't use the small angle approximation: - //cosAngle = cos(angle); - //sinAngle = sin(angle); + cosAngle = cos(angle); + sinAngle = sin(angle); + rot(axes1, axes1) = cosAngle; rot(axes2, axes2) = cosAngle;