[ViewVC] Diff of: OpenMD/branches/development/src/primitives/RigidBody.hpp

Comparing branches/development/src/primitives/RigidBody.hpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1808 by gezelter, Mon Oct 22 20:42:10 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
106	<	* @see #setI
101	>	* @return the gradient of this stuntdouble
102		*/
103		virtual std::vector<RealType> getGrad();
104
#	Line 117 \| Line 112 \| namespace OpenMD{
112		/** Converts Atomic forces and torques to total forces and torques */
113		void calcForcesAndTorques();
114
115	<	/** 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. */
115	>	/**
116	>	Converts Atomic forces and torques to total forces and torques
117	>	and computes the rigid body contribution to the virial.
118	>	Returns the rigid body contribution to the virial as a 3x3
119	>	matrix.
120	>	*/
121		Mat3x3d calcForcesAndTorquesAndVirial();
122	<
122	>
123		/** update the positions of atoms belong to this rigidbody */
124		void updateAtoms();
125
#	Line 150 \| Line 150 \| namespace OpenMD{
150		/**
151		* Returns the atoms of this rigid body
152		* @return the atoms of this rigid body in a vector
153	<	* @deprecate
153	>	* @deprecated
154		*/
155		std::vector<Atom*> getAtoms() {
156		return atoms_;

-–
+Removed lines
-+
+Added lines
-<
+Changed lines
->
+Changed lines