https://github.com/pyiron/pyiron_vasp

Parser for the Vienna Ab initio Simulation Package (VASP)
https://github.com/pyiron/pyiron_vasp

Last synced: 5 months ago
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Parser for the Vienna Ab initio Simulation Package (VASP)

• Host: GitHub
• URL: https://github.com/pyiron/pyiron_vasp
• Owner: pyiron
• License: bsd-3-clause
• Created: 2023-11-20T13:34:32.000Z (over 2 years ago)
• Default Branch: main
• Last Pushed: 2026-01-19T19:57:24.000Z (5 months ago)
• Last Synced: 2026-01-20T01:31:39.739Z (5 months ago)
• Language: Python
• Homepage:
• Size: 6.96 MB
• Stars: 0
• Watchers: 4
• Forks: 0
• Open Issues: 5
• Metadata Files:
  • Readme: README.md
  • License: LICENSE
  • Code of conduct: CODE_OF_CONDUCT.md
  • Citation: CITATION.cff

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README

          
# pyiron_vasp

[![Pipeline](https://github.com/pyiron/pyiron_vasp/actions/workflows/pipeline.yml/badge.svg)](https://github.com/pyiron/pyiron_vasp/actions/workflows/pipeline.yml)

[![codecov](https://codecov.io/gh/pyiron/pyiron_vasp/graph/badge.svg?token=PWWLjnbDJz)](https://codecov.io/gh/pyiron/pyiron_vasp)

Parser for the Vienna Ab initio Simulation Package (VASP)

## Installation 

Via pip

```

pip install pyiron_vasp

```

Via conda

```

conda install -c conda-forge pyiron_vasp

```

## Usage

Parse an directory with VASP output files 

```python

from pyiron_vasp.vasp.output import parse_vasp_output

output_dict = parse_vasp_output(working_directory="path/to/calculation")

```