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root/OpenMD/branches/development/src/primitives/RigidBody.hpp
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Comparing branches/development/src/primitives/RigidBody.hpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1794 by gezelter, Thu Sep 6 19:44:06 2012 UTC

# Line 96 | Line 96 | namespace OpenMD{
96       */
97      virtual Mat3x3d getI();
98  
99 –
100 –    /** Sets the internal unit frame of this stuntdouble by three euler angles */
101 –    void setElectroFrameFromEuler(RealType phi, RealType theta, RealType psi);
102 –        
99      /**
100       * Returns the gradient of this stuntdouble
101       * @return the inertia tensor of this stuntdouble
# Line 117 | Line 113 | namespace OpenMD{
113      /** Converts Atomic forces and torques to total forces and torques */
114      void calcForcesAndTorques();
115  
116 <    /** Converts Atomic forces and torques to total forces and torques and computes the rigid body contribution to the virial.  Returns the rigid body contribution to the virial as a 3x3 matrix. */
116 >    /**
117 >        Converts Atomic forces and torques to total forces and torques
118 >        and computes the rigid body contribution to the virial.
119 >        Returns the rigid body contribution to the virial as a 3x3
120 >        matrix.
121 >        */
122      Mat3x3d calcForcesAndTorquesAndVirial();
123 <
123 >    
124      /** update the positions of atoms belong to this rigidbody */
125      void updateAtoms();
126  

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