Introduction
ElectroChemical Toolkits (ECToolkits) is a package for calculating electrochemical results from atomistic simulations.
Installation
From pip
pip install ectoolkits
From source
One can download the source code of ECToolkits by
git clone https://github.com/robinzyb/ECToolkits.git ectoolkits
then use pip to install the module from source
cd ectoolkits
pip install .
Analysis
- Atomic/water density
- Band alignment
- Acidity calculation
- Redox potential calculation
- Finite size correction
Development
1 maintainer
Metadata
1 maintainer
Release files for ECToolkits 0.4.4
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| ectoolkits-0.4.4.tar.gz | 78.5 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| ectoolkits-0.4.4-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 167.0 kB
Release files / ectoolkits-0.4.4.tar.gz
| Download URL | ectoolkits-0.4.4.tar.gz |
|---|---|
| Size | 78.5 kB |
| Tags | Source |
|
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/3.12.9
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Transparency logRelease files / ectoolkits-0.4.4-py3-none-any.whl
| Download URL | ectoolkits-0.4.4-py3-none-any.whl |
|---|---|
| Size | 88.5 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 | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/6.1.0 CPython/3.12.9
|
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
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 Jul 14, 2025.
Transparency log
