Category | Topics |
---|---|
1102
|
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99
|
|
Geometry OptimizationFor 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.
|
51
|
SAPTFor 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.
|
103
|
feature-requestUse this category to indicate desirability of features not currently in Psi4 or extensions to current features.
|
51
|
Developer News & DiscussionThis 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.
|
29
|
Psi4Educationnews, questions, and conversation about using Psi4 for student labs via the project
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25
|
Site FeedbackDiscussion about this site, its organization, how it works, and how we can improve it.
|
5
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Psi4 NewsMajor news about Psi4 releases, workshops, etc.
|
2
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3
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