Welcome to BFit’s documentation!

BFit is a free, open-source, and cross-platform Python library for fitting a convex sum of Gaussian functions of s-type and p-type to any probability distribution.

BFIt is released under the GNU General Public License v3.0. Please report any issues you encounter while using BFit library on GitHub Issues. For further information and inquiries please contact us at qcdevs@gmail.com.

Please use the following citation in any publication using BFit library:

“BFit: Information-Theoretic Approach to Basis-Set Fitting of Electron Densities.”, A. Tehrani, F. Heidar-Zadeh, J. S. M. Anderson, T. Verstraelen, R. Cuevas-Saavedra, I. Vinogradov, D. Chakraborty, P. W. Ayers

For particular examples of using BFit, see the interactive Jupyter binder or Jupyter files in the example folder. Specification of the API is listed below.

API Documentation

• API Reference
  • bfit
    • Submodules
      • bfit.density
      • bfit.fit
      • bfit.greedy
      • bfit.grid
      • bfit.measure
      • bfit.model
      • bfit.parse_ugbs

Indices and tables

• Index

• Module Index

• Search Page