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Add project: ZnDraw - Visualization and Manipulation of Atomistic Data #309

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merged 3 commits into from
Jun 14, 2024

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PythonFZ
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What kind of change does this PR introduce?

  • Add a project
  • Update a project
  • Remove a project
  • Add or update a category
  • Change configuration
  • Documentation
  • Other, please describe:

Description:
Here I add the visualization tool ZnDraw (live demo at https://zndraw.icp.uni-stuttgart.de). It provides a webapp that can be installed and run locally via pip install zndraw or hosted for a shared experience.

Checklist:

  • I have read the CONTRIBUTING guidelines.
  • I have not modified the README.md file. Projects are only supposed to be added or updated within the projects.yaml file since the README.md file is automatically generated.

PythonFZ and others added 3 commits June 14, 2024 12:19
IPSuite, ZnDraw minor changes to labels, descriptions, see PR review
@Irratzo
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Irratzo commented Jun 14, 2024

Remarks on my changes in a33f9e2.

  • IPSuite
    • labels. removed 'community'. doesn't fit the description, imho. removed 'lang-py'. that's an implicit label. only projects that support languages other than Python benefit from it. removed 'active-learning'. yeah, best if all projects would have their category duplicated as label. but for now, we don't do that. added 'ml-iap'.
    • description. spelled out ML-IAP. 'MLP' commonly stands for multilayer perceptron.
  • ZnDraw
    • labels. removed 'lang-py'. removed 'general-tool'. doesn't fit the description, imho. removed 'viz'. added 'md'.
    • description. took the one from the preprint. found it more descriptive. hope that's okay.

@Irratzo Irratzo merged commit c6d7e36 into JuDFTteam:main Jun 14, 2024
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@Irratzo Irratzo mentioned this pull request Jun 14, 2024
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2 participants