Metadata-Version: 2.4
Name: pynter2
Version: 2.0.0
Summary: Tools for atomistic calculations, provides features for point-defect calculations
Author: Lorenzo Villa
Description-Content-Type: text/markdown
Requires-Dist: ase
Requires-Dist: paramiko
Requires-Dist: pymatgen>=2023.3.23
Requires-Dist: PyYAML
Requires-Dist: schedule
Dynamic: author
Dynamic: description
Dynamic: description-content-type
Dynamic: requires-dist
Dynamic: summary

# pynter

Python library for flexible workflows for atomistic calculations. Provides a `ssh` interface for high performance computing (HPC). Uses the [`pymatgen`](https://pymatgen.org) package.

It can be installed with the Python Package Index (PyPI) by running:
```sh
pip install pynter2
```

To configure settings for High-Performance Computer job submissions and for LAMMPS or VASP calculations, run:
```sh
pynter configure
```
