How to simplify a template

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jwk
Posts: 31
Joined: Sat Jun 20, 2020 3:37 am
Full Name: John Keller
Organization: University of Alaska Fairbanks
Subdiscipline: Chemistry

How to simplify a template

Post by jwk »

I wish to create simplified Gaussian templates for use by gen chem students. In a recent attempt with Template Editor (v 19 e), I Save As the Molecular Energy template to another name, but then the Variables table is grayed out. If I delete terms on the Template page, the user gets only an error message. So how does one go about removing terms on the Advanced tab?

schmidt
Posts: 51
Joined: Sat May 30, 2020 3:00 pm
Full Name: JR Schmidt
Organization: WebMO, LLC

Re: How to simplify a template

Post by schmidt »

John,

There is no need to delete built-in variables (nor CAN they be deleted, hence the greyed out!). You can only delete custom variables that you have defined.

However, there is no need to delete these variables. WebMO automatically "hides" any variables that are not used in a template. So if your simplified template does not reference a variable, it will be hidden in both the "normal" and "Advanced" job options page. Note that there are just a few variables that are ALWAYS shown, whether referenced explicitly or not.

jwk
Posts: 31
Joined: Sat Jun 20, 2020 3:37 am
Full Name: John Keller
Organization: University of Alaska Fairbanks
Subdiscipline: Chemistry

Re: How to simplify a template

Post by jwk »

Thanks, JR. That works. In the copy of Molecular Energy, which I call "Easy Molecular Energy", everything after "$basisSet[%END%]" , except $solvent, is deleted, which make the Advanced Tab much smaller. However, for gen chem students I decided to simplify by just using Molecular Energy template, and referring only to the Job Options tab, ignoring the other tabs in the student handout.
John K.

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