Metadata-Version: 2.1
Name: qtdraw
Version: 2.2.2
Summary: 3D drawing tool for molecules and crystals based on Pyvista and PySide6.
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: pyvista,PySide6,multipie
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: numpy
Requires-Dist: Cython
Requires-Dist: matplotlib
Requires-Dist: PySide6
Requires-Dist: pyvista
Requires-Dist: pyvistaqt
Requires-Dist: click
Requires-Dist: black
Requires-Dist: ipython
Requires-Dist: pymatgen
Requires-Dist: gcoreutils
Requires-Dist: multipie
Provides-Extra: dev
Requires-Dist: jupyter-book; extra == "dev"
Requires-Dist: ghp-import; extra == "dev"
Requires-Dist: jupytext; extra == "dev"

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

3D drawing tool for molecules and crystals based on [PyVista](https://docs.pyvista.org/) and [PySide6](https://doc.qt.io/qtforpython-6/index.html).
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
    ```

- **Shell commands**:
  - `qtdraw [filename]` : Open QtDraw file.
  - `conv_qtdraw2 [ver1_file.qtdw]` : Convert Version 1 `.qtdw` file into this version (Version 2).

- **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](https://cmt-mu.github.io/QtDraw/src/overview.html).
  - [MultiPie tutorial (in Japanese)](https://cmt-mu.github.io/MultiPieTutorial/)
  - [QtDraw tutorial (in Japanese)](https://cmt-mu.github.io/QtDrawTutorial/)
  - Source : [PyPI](https://pypi.org/project/qtdraw/) or [GitHub](https://github.com/CMT-MU/QtDraw)
