GaussView error
- From: Krzysztof Radacki <krys.radacki-0at0-ac.rwth-aachen.de>
- Organization: Inst. Inorg. Chem., RWTH Aachen, Germany
- Subject: GaussView error
- Date: Fri, 08 May 1998 07:20:26 +0000
Hi CCL-ers
In last par days GaussViev makes my hairs grey. Every time when
Gaussian job is broken with error-link due to reaching of maximal
optimalization steps GaussView by try to read molecule from log-data and
after "warning : no archive entry produce error"
produce new error dialog:
"Activietes:
" -Reading Gaussian Out file
" -Parsing Gaussian LOG file
" -Reading Gaussian Charge Data
"
"Error Message:
" Invalid Charge Data (Line 11460)
where line 11460 of logfile is:
"Sum of Mulliken charges= 0.00000
In correctly terminated file one can find:
"Sum of Mulliken charges= .00000
but of course this one '0' makes no difference in error-dialog.
Any sugestions how can I quick view my last geometry (quick means that I
don't want to copy last cartesian from log-file and formate it to
gaussian input).
--
Krzys Radacki
krys.radacki-0at0-ac.rwth-aachen.de