CP2KData
A Python Package to postprocess cp2k data, including cube, pdos, output files
Installation
From pip
pip install cp2kdata
From source
One can download the source code of cp2kdata by
git clone https://github.com/robinzyb/cp2kdata.git cp2kdata
then use pip to install the module from source
cd cp2kdata
pip install .
Manipulate CP2K Files
Additional Features
Feature Request
Any advice is welcome. If you would like to request a new feature, please open an issue in github and upload example input and output files.
Developer
set environment variable CP2KDATA_LOG_LEVEL to DEBUG to get the complete information.
1 maintainer
Metadata
1 maintainer
Release files for Cp2kData 0.7.3
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| cp2kdata-0.7.3.tar.gz | 42.0 kB | With provenance | Details for cp2kdata-0.7.3.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| cp2kdata-0.7.3-py3-none-any.whl | Python 3 | none | any | Details for cp2kdata-0.7.3-py3-none-any.whl |
Total release size: 95.0 kB
Release files / cp2kdata-0.7.3.tar.gz
| Download URL | cp2kdata-0.7.3.tar.gz |
|---|---|
| Size | 42.0 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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Yes |
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twine/6.1.0 CPython/3.12.9
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Transparency logRelease files / cp2kdata-0.7.3-py3-none-any.whl
| Download URL | cp2kdata-0.7.3-py3-none-any.whl |
|---|---|
| Size | 53.1 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-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/3.12.9
|
Provenance
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PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
Signed by GitHub Actions, verified by PyPI on May 30, 2025.
Transparency logSecurity for Cp2kData 0.7.3
Provenance
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Full provenance
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Attestation for cp2kdata-0.7.3.tar.gz
PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
Signed by GitHub Actions, verified by PyPI on May 30, 2025.
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