real time parsing of ORCA optimization

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jwk
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

Post by jwk »

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).
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schmidt
Posts: 84
Joined: Sat May 30, 2020 3:00 pm
Full Name: JR Schmidt
Organization: WebMO, LLC

Re: real time parsing of ORCA optimization

Post by schmidt »

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.
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