Bug fixes released for 12.2.7 -- thanks, Nico!
Sort of a random assortment of issues here....
minimization broken in 12.2.6
user variables should not be rest by INITIALIZE in an spt file
isosurface plane xy map... broken
contact command hbond/clash cutoff not sensitive to H-O/N vs O/N-O/N
-- set to -1.2 for H-N/O, -1.0 for N/O-N/O
contact command default probe radius should be 0.0
x3d/vrml outputting unnecessary spheres
-- bond caps within opaque atoms removed (not precisely correct
to do that)
show orientation shows incorrect zyz format if reset uses file-based
orientation matrix (smol, Sygress)
#
------------------------------------------------------------------------------
#version=12.2.6
# bug fix: minimize constraint CLEAR broken
# bug fix: constraints not reported in show minimization
# bug fix: set measures off broken
# bug fix: contact color density broken
# bug fix: contact volume report not correct for color density
# bug fix: MO HOMO not set properly when using LUMO = "lowest E > 0"
(GAMESS-US reader)
# bug fix: zSlab settings not stored properly in parameters; should have
default zSlab = 50
--
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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