Category Topics

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.
29
562

feature-request

Use this category to indicate desirability of features not currently in Psi4 or extensions to current features.
26
60

Psi4Education

news, questions, and conversation about the project
15

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.
24

Site Feedback

Discussion about this site, its organization, how it works, and how we can improve it.
2

Psi4 News

Major news about Psi4 releases, workshops, etc.
2
3

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.
0