tfep.io.log

Utility classes to store potential energies and CVs necessary for TFEP.

The module provides a class TFEPLogger that provides an interface to store on/read from disk the potentials energies and CVs quantities that enter the TFEP equations.

Classes

TFEPLogger([save_dir_path, data_loader, ...])

Store and retrieve potential energies and CVs during training/evaluations.