[DFTB-Plus-User] Question about angular momentum conservation in molecular dynamics runs into DFTB

Reinaldo Pis Diez reinaldo.pisdiez at gmail.com
Mon Jun 2 22:01:57 CEST 2008

	Dear DFTB+ users and developers,

		I was trying to follow the code to figure out how the angular momentum 
conservation is handled into the programme during a MD run but I didn't 
		I know that for isolated systems the angular momentum is not conserved 
and it could undergo nonsense rotations. However, MD runs in DFTB+ does 
not exhibit such a behaviour. How DFTB+ handles angular momentum 
conservation in isolated molecules or where do I have to look at into 
the code?
		Thanks in advance.


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