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CMS Plots

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Description

Utilities for creating plots for computational materials/molecular science (CMS)

This package provides tools for creating plotly graphs for e.g. band structure, DOS, and other specialized plots for CMS applications.

Features

  • Density of states (DOS) plots

  • Band structure plots

  • Combined band structure & DOS plots

Credits

This package was created with Cookiecutter and the molssi-seamm/cookiecutter-seamm-plugin project template.

Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award ACI-1547580

History

2026.7.20 – Internal: development tooling
  • Added an update make target that syncs main and dev after a release.

  • Excluded the generated _version.py from the black lint/format targets in the Makefile, matching the other SEAMM packages, so make lint no longer flags it.

No effect on the installed package.

2025.5.7 – Bugfix: removing debug logging
  • Removed some debug logging that was getting output by e.g. the structure step.

2022.8.13 (13 August 2022)

  • First release of a working version on PyPI.

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