"Unrestricted" option in WebMO 23

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jwk
Posts: 73
Joined: Sat Jun 20, 2020 3:37 am
Full Name: John Keller
Organization: University of Alaska Fairbanks
Subdiscipline: Chemistry

"Unrestricted" option in WebMO 23

Post by jwk »

I anticipate that general chemistry students will not find these options useful for their even-electron molecules and ions. It can be temporarily removed from the Job Options page by editing gaussian.html (after saving a copy of the original!). Use notepad++ or vi to insert comment symbols <!-- before, and --> after that section at about line 150. However, if you have organic students studying radicals, the "Unrestricted" options may indeed be useful.

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