Thank you, Nico, for releasing 11.8.22 and 11.9.36.
Just a few bug fixes in 11.8.22:
# bug fix: Spartan and WebMO orbitals are already normalized!
# bug fix: MOReader (NBO section) errors reading certain NBO files.
# bug fix: spacegroup creation bug with LOAD command SPACEGROUP option
More bugs and one new feature in 11.9.36 (I must be slowing down)
# new feature: GenNBO file reader for xx.31-.41 files and .nbo output if in
that directory there exists the xx.46 file and xx.31 file.
This allows the display of natural bond orbitals of a variety of types
directly from the program that generates them.
# new feature: GenNBO output can be appended directly onto Gamess, Gaussian,
Jaguar, NWChem, Psi, or Qchem calculation.
You can append the .nbo output onto any Gaussian file in order to add NBOs
to Gaussian output.
mostly minor bug fixes:
# bug fix: Spartan and WebMO orbitals are already normalized!
# bug fix: GAMESS reader misreading vibrations since 11.9.32
# bug fix: Gaussian04 reader unexpected lower case reading end of MO data
# bug fix: LCAOcartoon saving in state causes bug.
# bug fix: show symop by itself AFTER show symop n does not show full list
# bug fix: load "xxx" AS "yyy" fix
# bug fix: "set dragSelected; set pickingStyle drag" doesn't refresh
properly
I think the bug list and most feature lists are pretty much taken care of as
much as is possible at this point.
Bob
--
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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