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
from pyiron_vasp.vasp.output import parse_vasp_output
output_dict = parse_vasp_output(working_directory="path/to/calculation")
2 maintainers
Metadata
2 maintainers
Release files for pyiron-vasp 0.2.19
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| pyiron_vasp-0.2.19.tar.gz | 38.9 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| pyiron_vasp-0.2.19-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 87.5 kB
Release files / pyiron_vasp-0.2.19.tar.gz
| Download URL | pyiron_vasp-0.2.19.tar.gz |
|---|---|
| Size | 38.9 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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twine/6.1.0 CPython/3.13.7
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Transparency logRelease files / pyiron_vasp-0.2.19-py3-none-any.whl
| Download URL | pyiron_vasp-0.2.19-py3-none-any.whl |
|---|---|
| Size | 48.5 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/6.1.0 CPython/3.13.7
|
Provenance
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PyPI Publish Attestation
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