cool orbitals, both atomic and molecular, similar to those produced by
orbital.exe [http://stolaf.edu/people/hansonr/orbital] see
http://chemapps.stolaf.edu/jmol/docs/examples-12/new.htm
Thank you Pshemak Maslak for the suggestion!
version=12.1.47
# new feature: MO POINTS npts seed -- displays MOs as pointilist objects
# load c6h6.smol
# mo points 5000
# mo homo
# mo points 3000 13 # optional random number seed reproduces previous
results
#
# new feature: isosurface atomicOrbital n l m [zeff] [ POINTS npts seed]
# allows Monte Carlo type orbital display
# (see http://stolaf.edu/people/hansonr/orbital), e.g.:
#
# isosurface phase atomicOrbital 3 2 1 POINTS 5000
#
# optional random number seed reproduces previous results
#
# new feature: contoured planes and 3D objects can be remapped and
recontoured using ISOSURFACE MAP
#
# new feature: set dotScale applies to isosurface points in pointilist
objects
#
# new feature: SCALE parameter implemented for atomic orbitals.
#
# bug fix: remapping of a contoured isosurface fails
# bug fix: user-defined @ atom sets should be saved in state
# bug fix: defined @ atom sets not indicating changes when models are
deleted
# bug fix: parameter setting of Jmol integer parameters with float values
may not set variables
# example: set dotScale 3.0 seems to set the (integer) variable, but
there is no effect. (not fixed in 12.0)
#
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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