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root/OpenMD/branches/development/src/brains/SimInfo.hpp
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Comparing branches/development/src/brains/SimInfo.hpp (file contents):
Revision 1744 by gezelter, Tue Jun 5 18:07:08 2012 UTC vs.
Revision 1764 by gezelter, Tue Jul 3 18:32:27 2012 UTC

# Line 287 | Line 287 | namespace OpenMD{
287        return simParams_;
288      }
289  
290    /** Returns the velocity of center of mass of the whole system.*/
291    Vector3d getComVel();
292
293    /** Returns the center of the mass of the whole system.*/
294    Vector3d getCom();
295    /** Returns the center of the mass and Center of Mass velocity of
296        the whole system.*/
297    void getComAll(Vector3d& com,Vector3d& comVel);
298
299    /** Returns intertia tensor for the entire system and system
300        Angular Momentum.*/
301    void getInertiaTensor(Mat3x3d &intertiaTensor,Vector3d &angularMomentum);
302    
303    /** Returns system angular momentum */
304    Vector3d getAngularMomentum();
305
306    /** Returns volume of system as estimated by an ellipsoid defined
307        by the radii of gyration*/
308    void getGyrationalVolume(RealType &vol);
309    /** Overloaded version of gyrational volume that also returns
310        det(I) so dV/dr can be calculated*/
311    void getGyrationalVolume(RealType &vol, RealType &detI);
312
290      void update();
291      /**
292       * Do final bookkeeping before Force managers need their data.

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