I would like to use the scale factor for vibrations to demonstrate the classical turning points of a vibration.
I am not sure how to read the documentation: "Adjusts the scale of the vector independently of the vibration motion" Does a scale factor of 1.0 simply scale each vector by 1.0, or is each atom displaced one unit in the direction of each vector? Are the vectors scaled by the inverse square root of the atomic mass (technically needed to make the units come out right, but rarely done). Best regards, Jan -- =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=- Jan H. Jensen Associate Research Professor Department of Chemistry jhjen...@kemi.ku.dk University of Copenhagen Phone: +45 35 32 02 39 Universitetsparken 5 FAX: +45 35 32 02 14 2100 Copenhagen Denmark http://propka.ki.ku.dk/~jhjensen =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=- ------------------------------------------------------------------------------ Open Source Business Conference (OSBC), March 24-25, 2009, San Francisco, CA -OSBC tackles the biggest issue in open source: Open Sourcing the Enterprise -Strategies to boost innovation and cut costs with open source participation -Receive a $600 discount off the registration fee with the source code: SFAD http://p.sf.net/sfu/XcvMzF8H _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
