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root/OpenMD/branches/development/src/integrators/LDForceManager.cpp
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Comparing trunk/src/integrators/LDForceManager.cpp (file contents):
Revision 956 by gezelter, Tue May 16 02:06:37 2006 UTC vs.
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC

# Line 291 | Line 291 | namespace oopse {
291          currProp.Xirrr(2,1) = tokenizer.nextTokenAsDouble();
292          currProp.Xirrr(2,2) = tokenizer.nextTokenAsDouble();
293          
294 <        SquareMatrix<double, 6> Xir;
294 >        SquareMatrix<RealType, 6> Xir;
295          Xir.setSubMatrix(0, 0, currProp.Xirtt);
296          Xir.setSubMatrix(0, 3, currProp.Xirrt);
297          Xir.setSubMatrix(3, 0, currProp.Xirtr);
# Line 317 | Line 317 | namespace oopse {
317      Mat3x3d Atrans;
318      Vector3d Tb;
319      Vector3d ji;
320 <    double mass;
320 >    RealType mass;
321      unsigned int index = 0;
322      bool doLangevinForces;
323      bool freezeMolecule;
# Line 329 | Line 329 | namespace oopse {
329        if (sphericalBoundaryConditions_) {
330          
331          Vector3d molPos = mol->getCom();
332 <        double molRad = molPos.length();
332 >        RealType molRad = molPos.length();
333          
334          doLangevinForces = false;
335          freezeMolecule = false;
# Line 413 | Line 413 | namespace oopse {
413      ForceManager::postCalculation();  
414    }
415  
416 < void LDForceManager::genRandomForceAndTorque(Vector3d& force, Vector3d& torque, unsigned int index, double variance) {
416 > void LDForceManager::genRandomForceAndTorque(Vector3d& force, Vector3d& torque, unsigned int index, RealType variance) {
417  
418  
419 <    Vector<double, 6> Z;
420 <    Vector<double, 6> generalForce;
419 >    Vector<RealType, 6> Z;
420 >    Vector<RealType, 6> generalForce;
421  
422          
423      Z[0] = randNumGen_.randNorm(0, variance);

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