Knowledge Base

Article ID: 1208 - Last Modified:

Why are the gradients in a Jaguar optimization sometimes calculated numerically?

Jaguar calculates gradients numerically if the basis set has functions for which analytic gradients are not available. Jaguar supports analytic gradients for up to f functions.

Keywords: geometry optimization, numeric gradients

Back to Search Results

Was this information helpful?

What can we do to improve this information?

To ask a question or get help, please submit a support ticket or email us at
Knowledge Base Search

Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles