kim-tools

KIMTestDriver and SingleCrystalTestDriver classes for creating OpenKIM Test Drivers, and helper routines for writing KIM Tests and Verification Checks. Documentation at https://kim-tools.readthedocs.io.

Contributing Guide (Under Construction)

All contributed functions, classes and methods should be documented with Google style docstrings (https://google.github.io/styleguide/pyguide.html#383-functions-and-methods) and should have type hints for all arguments and return values (https://docs.python.org/3/library/typing.html). The docstrings are automatically rendered into the API documentation. To check that this is working correctly, install the Python packages in docs/requirements-docs.txt and run make html in docs/. There are some warnings, but there should be no errors, and the rendered docstring in the appropriate module html (e.g., docs/build/html/kim_tools.ase.html) should have a properly rendered section for the functions, classes and methods you wrote. See kim_tools/test_driver/core.py for a variety of examples of docstrings.

The code has a simple test suite using pytest. See the various files named test_* in tests/ for examples and add tests for any code you write.

To confirm that your code will pass the linter and style checks, install pre-commit as in this guide: https://pre-commit.com/#quick-start. The checks will run every time you make a commit.

kim_tools/ase contains utility functions that can be used for interatomic calculations. It is inherited from merging https://github.com/openkim/kim-python-utils into this repo. Previously, it worked only with KIM Models. All new functions added to this module should support being passed both a KIM Model as a string, and an ASE Calculator object. See kim-tools/ase/core.py::get_isolated_energy_per_atom for an example. If you are working on or with existing functions in this module, try to upgrade it to this functionality.

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

kim_tools-0.4.14.tar.gz (910.8 kB view details)

Uploaded Aug 5, 2026 Source

Built Distribution

If you're not sure about the file name format, learn more about wheel file names.

The dropdown lists show the available interpreters, ABIs, and platforms. Enable javascript to be able to filter the list of wheel files.

kim_tools-0.4.14-py3-none-any.whl (2.0 MB view details)

Uploaded Aug 5, 2026 Python 3

File details

Details for the file kim_tools-0.4.14.tar.gz.

File metadata

Download URL: kim_tools-0.4.14.tar.gz
Upload date: Aug 5, 2026
Size: 910.8 kB
Tags: Source
Uploaded using Trusted Publishing? Yes
Uploaded via: twine/6.1.0 CPython/3.12.8

File hashes

Hashes for kim_tools-0.4.14.tar.gz
Algorithm	Hash digest
SHA256	`47fadb094844a4df770e4d876f1de27a24bb0dc4df2c33fb6bf841b3c818c71d`
MD5	`955315d5dfb16e3571ac884224122470`
BLAKE2b-256	`7bf954370c683ece499cc9d43a4ef654f26f5c43e4f12b7f3e3e92b248f76d0b`

See more details on using hashes here.

Provenance

The following attestation bundles were made for kim_tools-0.4.14.tar.gz:

Publisher: release.yml on openkim/kim-tools

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

Statement:
- Statement type: https://in-toto.io/Statement/v1
- Predicate type: https://docs.pypi.org/attestations/publish/v1
- Subject name: kim_tools-0.4.14.tar.gz
- Subject digest: 47fadb094844a4df770e4d876f1de27a24bb0dc4df2c33fb6bf841b3c818c71d
- Sigstore transparency entry: 2351254806
- Sigstore integration time: Aug 5, 2026
Source repository:
- Permalink: openkim/kim-tools@d3ab40aeea75da75e02864839e8855ef901e0ca1
- Branch / Tag: refs/tags/v0.4.14
- Owner: https://github.com/openkim
- Access: public
Publication detail:
- Token Issuer: https://token.actions.githubusercontent.com
- Runner Environment: github-hosted
- Publication workflow: release.yml@d3ab40aeea75da75e02864839e8855ef901e0ca1
- Trigger Event: release