On Oct 26, 2009, at 8:02 AM, Visvaldas K. wrote:
and COORD=UNIQUE are used as a default. I saw in GAMESS mailing list
that COORD=CART has confounded some users, since it involves some
reorientation of the principal axis by GAMESS during the run. Maybe
it would be a good idea to change the keyword to UNIQUE, or to
remove altogether?
The GAMESS input generator was contributed largely by a student
working with the GAMESS developers, AFAIK. If there are suggestions to
improve the generator, we’d be open to them. Reading the manual (for
some translations), I see many keywords have changed recently.
If you’re willing to make up a list of GAMESS keywords to revise,
please send it to me, or post a feature request on the SourceForge
page and we’ll handle it.
Thanks!
-Geoff