About the SAPT category

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.

SAPT is the most frequently used feature of Psi4 and consequently receives a large number of questions about it. We mainly see requests for advice on when and how the method should be applied, although we’ve also seen several theory questions, bug reports, requests for help with basis sets. Many SAPT users are new to computational chemistry. Questions from them are welcome, and we encourage them to say they are new so we know to be gentler when answering questions. This is Psi’s first feature-specific category and is a trial for more feature-specific categories. We hope this will allow our SAPT experts to find the questions they’re needed for quickly.

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