Search found 11 matches

by webmo
Thu Sep 02, 2021 6:50 pm
Forum: Choose Engine
Topic: Error after installing Psi4 and enabling on the computational engine.
Replies: 2
Views: 8223

Re: Error after installing Psi4 and enabling on the computational engine.

This is a known issue. A patch will be released later this week to address this. In the meantime, simply removing the offending "-p" option in run_psi.cgi will fix it.
by webmo
Mon May 17, 2021 12:02 pm
Forum: Interface Manager
Topic: Error after editing the computational engine subdirectory
Replies: 3
Views: 22851

Re: Error after editing the computational engine subdirectory

Please do not manually edit the interface files. Use the "Interface Manager" under admin.

Please just check the syntax of the psi.int file. It is simply key/value pairs separated with an "=" sign. The values are strings that must be quoted.
by webmo
Fri Feb 12, 2021 3:13 pm
Forum: WebMO App (Apple and Android)
Topic: Charge not recognized in allylic cation (vs anion)
Replies: 2
Views: 21494

Re: Charge not recognized in allylic cation (vs anion)

Can you please clarify the problem? Note that you must correctly specify the total charge of the molecule when running the actual calculation. The format charges do not actually enter a MO calculation. They are for display / generation of an initial geometry only. Note that your images do not displa...
by webmo
Tue Feb 02, 2021 1:04 am
Forum: Feature Requests
Topic: Size or coordinates for Electron density
Replies: 1
Views: 12239

Re: Size or coordinates for Electron density

Could you post (or email) the output file for this job? The full electron density should be calculated. I do not understand why it is stopping, so this may indicate a bug.
by webmo
Wed Nov 25, 2020 1:31 pm
Forum: WebMO 20
Topic: Lookup Import by name results in flattened structures
Replies: 1
Views: 11026

Re: Lookup Import by name results in flattened structures

This was a transient issue with the NIH Cactus resolver, which appears to have "resolved" itself the next day.
by webmo
Fri May 29, 2020 3:34 pm
Forum: Forum Instructions
Topic: Overview
Replies: 0
Views: 36920

Overview

The WebMO Support Forum is a public discussion board for asking questions, reporting bugs, requesting new features, and sharing your experience with WebMO to the broader community. The Forum is supported by the WebMO creators and the WebMO userbase. To read or search the Forum, registration and logi...
by webmo
Fri May 29, 2020 3:33 pm
Forum: Forum Instructions
Topic: Registering for a Forum Account
Replies: 0
Views: 24398

Registering for a Forum Account

To post on the WebMO Support Forum, you must have a Forum account. To get an account: Click the Register link Supply the requested information and click Submit Check your email for the registration email Click the supplied link in the registration email to activate your account At this point, you ar...
by webmo
Fri May 29, 2020 3:22 pm
Forum: Forum Instructions
Topic: Searching the Forum
Replies: 0
Views: 24243

Searching the Forum

Enter your search text in the Search... box at the top of the forum, and click the magnifying glass.

The gear allows for advanced search queries: and/or, wildcards, specific forums, recent posts, etc.
by webmo
Fri May 29, 2020 3:22 pm
Forum: Forum Instructions
Topic: Posting Messages
Replies: 0
Views: 25587

Posting Messages

To post on this Forum, you must be a registered member and logged in. Navigate to the appropriate area for your post. For a new topic , click the New Topic button, enter a Subject, and enter your post. To continue discussion on a topic, click the Post Reply button, and enter your post. It might be d...
by webmo
Fri May 29, 2020 3:20 pm
Forum: Forum Instructions
Topic: Customizing your Forum Experience
Replies: 0
Views: 24336

Customizing your Forum Experience

This Forum runs on phpBB software, which allows for customizing your forum experience. Some common customizations are: Subscribe to a forum – click on Subscribe forum at the bottom of the list of topics Subscribe to a topic - click on the "hammer" at the bottom of the topic and choose Subscribe topi...