> Q: The molecule samples/cs2.xyz contains three atoms. Each of them has a
> vector. To me, the molecule looks symmetric. So, why do the vectors all
> point to the same quadrant?

Those were instantaneous velocities (in units of Angstroms /
picosecond) snipped out of one of my old CS2 liquid simulations.
I guess that molecule was moving (not vibrating) during that frame.
 
> I may send you some very small code snippets and ask you to comment on them.

No problem.
 
  --Dan

-- 
***********************************************
  J. Daniel Gezelter
  Assistant Professor
  Department of Chemistry and Biochemistry
  251 Nieuwland Science Hall
  University of Notre Dame
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  phone:  +1 (574) 631-7595
  fax:    +1 (574) 631-6652
  e-mail: [EMAIL PROTECTED]
  web:    http://www.nd.edu/~gezelter
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