Category Topics

Geometry Optimization

For all topics about errors and inefficiencies with the Psi4 geometry optimizers: if you can’t get a geometry to converge, if a geometry optimization takes suspiciously bad steps, or geometry-specific errors. Errors with electronic structure computations during an optimization belong elsewhere.
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SAPT

For all topics about Symmetry Adapted Perturbation Theory: bug reports, advice for best practices and applicability of the method, question about how the method works, and more.
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feature-request

Use this category to indicate desirability of features not currently in Psi4 or extensions to current features.
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Psi4Education

news, questions, and conversation about the project
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Developer News & Discussion

This category is intended to keep PSI developers up to date on current issues and advances, from major infrastructure changes to bug-fixes, to new features.
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Site Feedback

Discussion about this site, its organization, how it works, and how we can improve it.
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Psi4 News

Major news about Psi4 releases, workshops, etc.
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