Metadata-Version: 2.4
Name: amorphouspy
Version: 0.0.12
Summary: Workflows for atomistic modeling of oxide glasses
Author-email: Achraf Atila <achraf.atila@bam.de>, Marcel Sadowski <marcel.sadowski@schott.com>, Jan Janssen <janssen@mpie.de>, Leopold Talirz <leopold.talirz@schott.com>
License-Expression: BSD-3-Clause
Requires-Dist: ase
Requires-Dist: lammpsparser
Requires-Dist: numba
Requires-Dist: pandas
Requires-Dist: pyiron-base
Requires-Dist: pymatgen
Requires-Dist: scipy
Requires-Dist: sovapy
Description-Content-Type: text/markdown

# Workflows for atomistic modeling of oxide glasses

This project aims at setting up pyiron-workflows to perform atomistic simulations for glasses.
This concerns, but is not limited to, generating initial structural models, performing melt-quenching simulations as well as analysing relevant properties. 

Later, these workflows serve as blueprints intended to be used by "Otto", the GlasAgent. 
