https://github.com/becksteinlab/numkit
Numerical first aid kit (with numpy/scipy).
https://github.com/becksteinlab/numkit
gromacswrapper python science
Last synced: 30 days ago
JSON representation
Numerical first aid kit (with numpy/scipy).
- Host: GitHub
- URL: https://github.com/becksteinlab/numkit
- Owner: Becksteinlab
- License: other
- Created: 2017-03-28T05:51:01.000Z (about 8 years ago)
- Default Branch: main
- Last Pushed: 2024-10-10T01:00:28.000Z (7 months ago)
- Last Synced: 2025-04-14T19:56:20.315Z (about 1 month ago)
- Topics: gromacswrapper, python, science
- Language: Python
- Homepage: https://numkit.readthedocs.io
- Size: 303 KB
- Stars: 2
- Watchers: 5
- Forks: 2
- Open Issues: 1
-
Metadata Files:
- Readme: README.rst
- Changelog: CHANGES
- License: LICENSE
- Authors: AUTHORS
Awesome Lists containing this project
README
======
numkit
======
|docs| |build| |cov| |anaconda|
**numkit** is a small collection of numerical helper functions and
classes ("numerical first aid kit") that have been useful for
GromacsWrapper_ and related projects.
Originally, **numkit** was part of GromacsWrapper_ but was split off
into its own small package in version 0.7.0 of GromacsWrapper.
.. _GromacsWrapper: https://gromacswrapper.readthedocs.org/
Getting numkit
==============
Install with ``pip`` from PyPi with ::
pip install numkit
or with ``conda`` from the *conda-forge* channel ::
conda install -c conda-forge numkit
The source code is available under the BSD 3-clause license (see file
LICENSE) from GitHub in the repository
https://github.com/Becksteinlab/numkit ::
git clone https://github.com/Becksteinlab/numkit
Python support
==============
Python 3 support for releases 3.9 - 3.12 is tested on Linux, macOS,
and Windows.
(Python 2.7 and older version of Python 3 were supported up to release 1.2.3.)
Contributing
============
Contributions are very welcome in all forms, especially through issue
reports and pull requests.
If you don't get an answer within 2 days, ping ``@orbeckst`` to send a
notification.
.. |build| image:: https://github.com/Becksteinlab/numkit/actions/workflows/ci.yaml/badge.svg?branch=main
:alt: Build status
:target: https://github.com/Becksteinlab/numkit/actions/workflows/ci.yaml
.. |docs| image:: https://readthedocs.org/projects/numkit/badge/?version=latest
:target: https://numkit.readthedocs.org/en/latest/?badge=latest
:alt: Documentation
.. |cov| image:: https://codecov.io/gh/Becksteinlab/numkit/branch/main/graph/badge.svg
:target: https://codecov.io/gh/Becksteinlab/numkit?branch=main
:alt: Code Coverage
.. |anaconda| image:: https://anaconda.org/conda-forge/numkit/badges/version.svg
:target: https://anaconda.org/conda-forge/numkit
:alt: Anaconda package