digichem-core 7.0.0__tar.gz → 7.0.1__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.
- {digichem_core-7.0.0 → digichem_core-7.0.1}/PKG-INFO +1 -1
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/__init__.py +2 -2
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/config/base.py +1 -1
- {digichem_core-7.0.0 → digichem_core-7.0.1}/.github/workflows/python-main-pull.yml +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/.github/workflows/python-main-push.yml +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/.github/workflows/python-pypi-publish.yml +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/.github/workflows/release-on-tag.yml +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/.gitignore +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/.gitmodules +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/Banner.png +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/COPYING.md +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/LICENSE +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/README.md +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/basis.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/config/README +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/config/__init__.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/config/locations.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/config/parse.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/config/util.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/README +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/batoms/COPYING +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/batoms/LICENSE +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/batoms/README +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/batoms/__init__.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/batoms/batoms-renderer.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/batoms/batoms_renderer.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/config/digichem.yaml +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/functionals.csv +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/solvents.csv +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/tachyon/COPYING.md +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/tachyon/LICENSE +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/tachyon/tachyon_LINUXAMD64 +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/vmd/common.tcl +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/vmd/generate_combined_orbital_images.tcl +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/vmd/generate_density_images.tcl +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/vmd/generate_dipole_images.tcl +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/vmd/generate_orbital_images.tcl +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/vmd/generate_spin_images.tcl +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/data/vmd/generate_structure_images.tcl +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/datas.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/exception/__init__.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/exception/base.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/exception/uncatchable.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/file/__init__.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/file/base.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/file/cube.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/file/fchk.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/file/prattle.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/file/types.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/image/__init__.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/image/base.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/image/excited_states.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/image/graph.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/image/orbitals.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/image/render.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/image/spectroscopy.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/image/structure.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/image/vmd.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/input/__init__.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/input/base.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/input/digichem_input.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/input/gaussian.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/log.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/memory.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/misc/__init__.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/misc/argparse.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/misc/base.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/misc/io.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/misc/layered_dict.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/misc/text.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/misc/time.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/parse/__init__.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/parse/base.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/parse/cclib.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/parse/dump.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/parse/gaussian.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/parse/orca.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/parse/pyscf.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/parse/turbomole.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/parse/util.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/__init__.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/alignment/AA.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/alignment/AAA.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/alignment/FAP.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/alignment/__init__.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/alignment/base.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/angle.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/atom.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/base.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/dipole_moment.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/emission.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/energy.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/excited_state.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/ground_state.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/metadata.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/multi.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/nmr.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/orbital.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/result.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/soc.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/spectroscopy.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/tdm.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/result/vibration.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/__init__.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/conftest.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/mock/cubegen +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/mock/formchk +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/test_basis.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/test_calculate.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/test_config.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/test_cube.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/test_exception.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/test_file.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/test_image.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/test_input.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/test_memory.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/test_parsing.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/test_prattle.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/test_result.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/test_translate.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/test/util.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/digichem/translate.py +0 -0
- {digichem_core-7.0.0 → digichem_core-7.0.1}/pyproject.toml +0 -0
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Metadata-Version: 2.4
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Name: digichem-core
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Version: 7.0.
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Version: 7.0.1
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Summary: Open-source library for Digichem core components
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Project-URL: Homepage, https://github.com/Digichem-Project/digichem-core
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Project-URL: Documentation, https://doc.digi-chem.co.uk
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# development = prerelease is not None
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# # The full version number of this package.
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# __version__ = "{}.{}.{}{}".format(major_version, minor_version, revision, "-pre.{}".format(prerelease) if development else "")
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__version__ = "7.0.
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__version__ = "7.0.1"
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# Program date (when we were last updated). This is changed automatically.
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_last_updated_string = "06/10/2025"
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