Metadata-Version: 2.1
Name: qtdraw
Version: 1.1.31
Summary: 3D drawing tool for molecules and crystals based on Pyvista and Qt.
Author-email: Hiroaki Kusunose <hiroaki.kusunose@gmail.com>
License: MIT
Project-URL: Homepage, https://github.com/CMT-MU/QtDraw
Project-URL: Issues, https://github.com/CMT-MU/QtDraw/issues
Keywords: group theory,condensed matter,materials science,symmetry-adapted basis,pyvista,qtpy5
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: POSIX
Classifier: Operating System :: MacOS
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.9
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: matplotlib
Requires-Dist: seaborn
Requires-Dist: pyqt5
Requires-Dist: pyvista
Requires-Dist: pyvistaqt
Requires-Dist: click
Requires-Dist: pymatgen>2023.7.17
Requires-Dist: gcoreutils
Provides-Extra: dev
Requires-Dist: jupyter-book; extra == "dev"
Requires-Dist: ghp-import; extra == "dev"
Requires-Dist: jupytext; extra == "dev"
Requires-Dist: multipie; extra == "dev"

# [QtDraw](https://cmt-mu.github.io/QtDraw/)

3D drawing tool for molecules and crystals based on [PyVista](https://docs.pyvista.org/) and [Qt](https://www.riverbankcomputing.com/static/Docs/PyQt5/#).
Drawings are associated with crystallographic symmetry operations provided by [MultiPie](https://github.com/CMT-MU/MultiPie).

- **Authors**: Hiroaki Kusunose

- **Citing QtDraw and MultiPie**: If you are using QtDraw and/or MultiPie in your scientific research, please help our scientific visibility by citing our work:
    > Hiroaki Kusunose, Rikuto Oiwa, and Satoru Hayami, Symmetry-adapted modeling for molecules and crystals, Phys. Rev. B <b>107</b>, 195118 (2023).<br>
    > DOI: [https://doi.org/10.1103/PhysRevB.107.195118](https://doi.org/10.1103/PhysRevB.107.195118)

- **Installation**: QtDraw can be installed from PyPI using pip on Python >= 3.9:
    ```
    pip install qtdraw
    ```
    - It is useful to associate with the following application with `.qtdw` and `.cif` extension.
      - [Mac](https://github.com/CMT-MU/QtDraw/tree/main/others/QtDraw_MacApp.zip)
      - [Windows](https://github.com/CMT-MU/QtDraw/tree/main/others/QtDraw_WinApp.zip)
    - You can also visit [PyPI](https://pypi.org/project/qtdraw/) or [GitHub](https://github.com/CMT-MU/QtDraw) to download the source.
    - See also, [Install Guide (in Japanese)](./src/install_guide.pdf)
    - Shell command `qtdraw [filename]` is available.

- **Requirements**:
  - This library requires [TeXLive](https://www.tug.org/texlive/) environment.
  - Symmetry operation supports are provided by [MultiPie](https://github.com/CMT-MU/MultiPie).

- **See also**:
  - [Manual (QtDraw and MultiPie)](https://github.com/CMT-MU/QtDraw/blob/main/docs/src/manual.pdf).
  - [MultiPie tutorial (in Japanese)](https://cmt-mu.github.io/MultiPieTutorial/)
  - [QtDraw tutorial (in Japanese)](https://cmt-mu.github.io/QtDrawTutorial/)
