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https://github.com/molssi-seamm/seamm_geometric
geomeTRIC connector for SEAMM
https://github.com/molssi-seamm/seamm_geometric
Last synced: about 1 month ago
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geomeTRIC connector for SEAMM
- Host: GitHub
- URL: https://github.com/molssi-seamm/seamm_geometric
- Owner: molssi-seamm
- License: bsd-3-clause
- Created: 2024-10-13T18:59:24.000Z (2 months ago)
- Default Branch: main
- Last Pushed: 2024-10-20T15:51:32.000Z (2 months ago)
- Last Synced: 2024-10-21T18:02:23.372Z (2 months ago)
- Language: Python
- Size: 1.8 MB
- Stars: 0
- Watchers: 2
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.rst
- Changelog: HISTORY.rst
- Contributing: .github/CONTRIBUTING.md
- License: LICENSE.txt
- Code of conduct: CODE_OF_CONDUCT.md
Awesome Lists containing this project
README
.. image:: https://img.shields.io/github/issues-pr-raw/molssi-seamm/seamm_geometric
:target: https://github.com/molssi-seamm/seamm_geometric/pulls
:alt: GitHub pull requests.. image:: https://github.com/molssi-seamm/seamm_geometric/workflows/CI/badge.svg
:target: https://github.com/molssi-seamm/seamm_geometric/actions
:alt: Build Status.. image:: https://codecov.io/gh/molssi-seamm/seamm_geometric/branch/master/graph/badge.svg
:target: https://codecov.io/gh/molssi-seamm/seamm_geometric
:alt: Code Coverage.. image:: https://github.com/molssi-seamm/seamm_geometric/workflows/CodeQL/badge.svg
:target: https://github.com/molssi-seamm/seamm_geometric/security/code-scanning
:alt: Code Quality.. image:: https://github.com/molssi-seamm/seamm_geometric/workflows/Release/badge.svg
:target: https://molssi-seamm.github.io/seamm_geometric/index.html
:alt: Documentation Status.. image:: https://img.shields.io/pypi/v/seamm_geometric.svg
:target: https://pypi.python.org/pypi/seamm_geometric
:alt: PyPi VERSION===================
SEAMM-ASE Connector
===================
The module provides a connector between the `SEAMM`_ and `geomeTRIC`_ packages to allow the
use of geomeTRIC drivers in SEAMM workflows. An geomeTRIC engine for executing SEAMM
subflowcharts is provided.* Free software: BSD license
* Documentation: https://molssi-seamm.github.io/seamm_geometric/index.html
* Code: https://github.com/molssi-seamm/seamm_geometricFeatures
--------Acknowledgements
----------------This package was created with Cookiecutter_ and the `molssi-seamm/cookiecutter-seamm-plugin`_ project template.
.. _Cookiecutter: https://github.com/audreyr/cookiecutter
.. _`molssi-seamm/cookiecutter-seamm-plugin`: https://github.com/molssi-seamm/cookiecutter-seamm-pluginDeveloped by the Molecular Sciences Software Institute (MolSSI_),
which receives funding from the `National Science Foundation`_ under
award ACI-1547580.. _MolSSI: https://www.molssi.org
.. _`National Science Foundation`: https://www.nsf.gov.. _SEAMM: https://molssi-seamm.github.io
.. _geomeTRIC: https://geometric.readthedocs.io/en/latest/index.html