htflow-utils 1.0.0

utility functions and classes for SurfFlow and TriboFlow

# htflow-utils

## Name htflow-utils

## Description A collection of classes and functions that are useful for the handling and reshaping of pymatgen slabs. Also contains helper functions for the TriboFlow and SurfFlow packages, especially to create VASP input sets and specific dynamic relax workflows. For the workflow module, atomate and its (large) dependencies have to be installed.

## Installation We strongly recommend to use a virtual environment for the installation. E.g.: mamba/conda, virtualenv, etc.

Install with pip:

pip install htflow-utils

Or, if you want to use the workflows module:

pip install “htflow-utils[workflows]

## Authors and acknowledgment Firat Yalcin & Michael Wolloch

[e-mail] [e-mail]

## License MIT license