Parser for the Vienna Ab initio Simulation Package (VASP)
Verified details
These details have been verified by PyPIProject links
GitHub Statistics
Maintainers
Project description
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")
Project details
Verified details
These details have been verified by PyPIProject links
GitHub Statistics
Maintainers
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file pyiron_vasp-0.2.4.tar.gz.
File metadata
- Download URL: pyiron_vasp-0.2.4.tar.gz
- Upload date:
- Size: 42.0 kB
- Tags: Source
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.1.0 CPython/3.12.9
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
0ef4f2e1bc1151c0d24d59f4deb20ce311dfc3a175d5bf3ed03d515dffd52268
|
|
| MD5 |
929f5939cc1e6152247b66c62db81a15
|
|
| BLAKE2b-256 |
a0cf4c9ab530095af727f4106b728bc861ad0974678d1d75ebaeff7896bd3153
|
Provenance
The following attestation bundles were made for pyiron_vasp-0.2.4.tar.gz:
Publisher:
deploy.yml on pyiron/pyiron_vasp
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
pyiron_vasp-0.2.4.tar.gz -
Subject digest:
0ef4f2e1bc1151c0d24d59f4deb20ce311dfc3a175d5bf3ed03d515dffd52268 - Sigstore transparency entry: 177028822
- Sigstore integration time:
-
Permalink:
pyiron/pyiron_vasp@41d41474d19c9b2df1b5f1d617cdb6308f6dbefd -
Branch / Tag:
refs/tags/pyiron_vasp-0.2.4 - Owner: https://github.com/pyiron
-
Access:
public
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
deploy.yml@41d41474d19c9b2df1b5f1d617cdb6308f6dbefd -
Trigger Event:
push
-
Statement type:
File details
Details for the file pyiron_vasp-0.2.4-py3-none-any.whl.
File metadata
- Download URL: pyiron_vasp-0.2.4-py3-none-any.whl
- Upload date:
- Size: 54.7 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.1.0 CPython/3.12.9
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
043197795a8a8439ff0e8908057cacdabf706deccc4bc0260dfd57db5f887b8a
|
|
| MD5 |
a5865204cf81d3d20e7d42b3756c3ad7
|
|
| BLAKE2b-256 |
a8174a771efd22d1c6c2eb65c275f3c85cee2818f3b05515b019a05f2df4bbe2
|
Provenance
The following attestation bundles were made for pyiron_vasp-0.2.4-py3-none-any.whl:
Publisher:
deploy.yml on pyiron/pyiron_vasp
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
pyiron_vasp-0.2.4-py3-none-any.whl -
Subject digest:
043197795a8a8439ff0e8908057cacdabf706deccc4bc0260dfd57db5f887b8a - Sigstore transparency entry: 177028824
- Sigstore integration time:
-
Permalink:
pyiron/pyiron_vasp@41d41474d19c9b2df1b5f1d617cdb6308f6dbefd -
Branch / Tag:
refs/tags/pyiron_vasp-0.2.4 - Owner: https://github.com/pyiron
-
Access:
public
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
deploy.yml@41d41474d19c9b2df1b5f1d617cdb6308f6dbefd -
Trigger Event:
push
-
Statement type:
