Package Reference

This section contains the API reference for the STRUCTURES25 Python package.

mldft.api	API subpackage for simple usage of STRUCTURES25 density optimization routines.
mldft.datagen	Subpackage for Kohn-Sham calculations, density fitting and training data generation.
mldft.ml	The machine learning subpackage of mldft.
mldft.ofdft	Subpackage containing OFDFT implementation.
mldft.utils	Utility functions and classes.