From: Dan G. <gez...@nd...> - 2002-11-24 02:30:37
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> 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 Notre Dame, IN 46556-5670 phone: +1 (574) 631-7595 fax: +1 (574) 631-6652 e-mail: gez...@nd... web: http://www.nd.edu/~gezelter ************************************************ |