real time parsing of ORCA optimization
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- Posts: 79
- Joined: Sat Jun 20, 2020 3:37 am
- Full Name: John Keller
- Organization: University of Alaska Fairbanks
- Subdiscipline: Chemistry
real time parsing of ORCA optimization
ORCA 5 updates the output.log file as it carries out a geometry optimization. Therefore, it would be helpful if WebMO would parse those file changes and display them on the Results page (just like it does with Gaussian).
Re: real time parsing of ORCA optimization
Excellent suggestion. I've made a note of this new capability on our bug/todo list so we can take advantage in a future update.