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root/group/trunk/OOPSE/libmdtools/SimSetup.cpp
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Comparing trunk/OOPSE/libmdtools/SimSetup.cpp (file contents):
Revision 983 by gezelter, Mon Jan 26 21:45:03 2004 UTC vs.
Revision 984 by gezelter, Mon Jan 26 21:52:56 2004 UTC

# Line 224 | Line 224 | void SimSetup::makeMolecules(void){
224            // in space using the three Euler angles.  We assume the standard
225            // unit vector was originally along the z axis below.
226  
227 <          phi = currentAtom->getEulerPhi();
228 <          theta = currentAtom->getEulerTheta();
229 <          psi = currentAtom->getEulerPsi();
227 >          phi = currentAtom->getEulerPhi() * M_PI / 180.0;
228 >          theta = currentAtom->getEulerTheta() * M_PI / 180.0;
229 >          psi = currentAtom->getEulerPsi()* M_PI / 180.0;
230              
231            Axx = (cos(phi) * cos(psi)) - (sin(phi) * cos(theta) * sin(psi));
232            Axy = (sin(phi) * cos(psi)) + (cos(phi) * cos(theta) * sin(psi));

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