yu-mcal 0.1.3__tar.gz → 0.1.5__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/PKG-INFO +3 -1
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/README.md +1 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/README_ja.md +1 -0
- yu_mcal-0.1.5/docs/_modules/index.html +279 -0
- yu_mcal-0.1.5/docs/_modules/mcal/calculations/hopping_mobility_model.html +688 -0
- yu_mcal-0.1.5/docs/_modules/mcal/calculations/rcal.html +708 -0
- yu_mcal-0.1.5/docs/_modules/mcal/mcal.html +1168 -0
- yu_mcal-0.1.5/docs/_modules/mcal/utils/cif_reader.html +969 -0
- yu_mcal-0.1.5/docs/_modules/mcal/utils/gaus_log_reader.html +376 -0
- yu_mcal-0.1.5/docs/_modules/mcal/utils/gjf_maker.html +585 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_sources/index.rst.txt +2 -1
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_sources/mcal.calculations.rst.txt +0 -8
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/documentation_options.js +1 -1
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/genindex.html +13 -92
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/index.html +8 -7
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/mcal.calculations.html +21 -420
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/mcal.html +21 -56
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/mcal.utils.html +40 -40
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/modules.html +5 -6
- yu_mcal-0.1.5/docs/objects.inv +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/py-modindex.html +4 -10
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/search.html +4 -4
- yu_mcal-0.1.5/docs/searchindex.js +1 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs-src/source/conf.py +2 -1
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs-src/source/index.rst +2 -1
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs-src/source/mcal.calculations.rst +0 -8
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/pyproject.toml +2 -1
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/src/mcal/mcal.py +4 -4
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/src/mcal/utils/cif_reader.py +12 -9
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/uv.lock +17 -1
- yu_mcal-0.1.3/docs/objects.inv +0 -8
- yu_mcal-0.1.3/docs/searchindex.js +0 -1
- yu_mcal-0.1.3/src/mcal/calculations/tcal.py +0 -1123
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/.gitignore +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/.python-version +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/LICENSE +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/.nojekyll +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_sources/mcal.rst.txt +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_sources/mcal.utils.rst.txt +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_sources/modules.rst.txt +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/autodoc_pydantic.css +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/basic.css +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/debug.css +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/doctools.js +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/file.png +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/language_data.js +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/minus.png +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/plus.png +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/pygments.css +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/scripts/furo-extensions.js +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/scripts/furo.js +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/scripts/furo.js.LICENSE.txt +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/scripts/furo.js.map +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/searchtools.js +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/skeleton.css +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/sphinx_highlight.js +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/styles/furo-extensions.css +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/styles/furo-extensions.css.map +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/styles/furo.css +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs/_static/styles/furo.css.map +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs-src/Makefile +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs-src/make.bat +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs-src/source/mcal.rst +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs-src/source/mcal.utils.rst +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/docs-src/source/modules.rst +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/requirements.txt +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/src/mcal/__init__.py +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/src/mcal/calculations/__init__.py +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/src/mcal/calculations/hopping_mobility_model.py +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/src/mcal/calculations/rcal.py +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/src/mcal/constants/element_properties.csv +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/src/mcal/utils/__init__.py +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/src/mcal/utils/gaus_log_reader.py +0 -0
- {yu_mcal-0.1.3 → yu_mcal-0.1.5}/src/mcal/utils/gjf_maker.py +0 -0
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Metadata-Version: 2.4
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Name: yu-mcal
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Version: 0.1.
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Version: 0.1.5
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Summary: Program for the calculation of mobility tensor for organic semiconductor crystals
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Author: Koki Ozawa
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Author-email: Hiroyuki Matsui <h-matsui@yz.yamagata-u.ac.jp>
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Description-Content-Type: text/markdown
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# mcal: Program for the calculation of mobility tensor for organic semiconductor crystals
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* Python 3.9 or newer
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# Important notice
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<title>Overview: module code - mcal documentation</title>
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<h1>All modules for which code is available</h1>
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