Wheelodex » Projects » pymatgen-analysis-diffusion » pymatgen_analysis_diffusion-2024.7.15-py3-none-any.whl

pymatgen-analysis-diffusion

View on PyPI — Reverse Dependencies (6)

2024.7.15 pymatgen_analysis_diffusion-2024.7.15-py3-none-any.whl

Wheel Details

Project: pymatgen-analysis-diffusion
Version: 2024.7.15
Filename: pymatgen_analysis_diffusion-2024.7.15-py3-none-any.whl
Download: [link]
Size: 87262
MD5: 83f36470e773f1da38e50dbd4ef7af1d
SHA256: 4f1bbd63de6ffb1f73894cc8fa861cd2488b3daa4d6de2195953231ca8ec02fb
Uploaded: 2024-07-15 17:35:07 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: pymatgen-analysis-diffusion
Version: 2024.7.15
Summary: Pymatgen add-on for diffusion analysis.
Author-Email: Materials Virtual Lab <ongsp[at]ucsd.edu>
Maintainer-Email: Shyue Ping Ong <ongsp[at]ucsd.edu>
Project-Url: Homepage, http://materialsvirtuallab.github.io/pymatgen-analysis-diffusion/
Project-Url: Documentation, http://materialsvirtuallab.github.io/pymatgen-analysis-diffusion/
Project-Url: Repository, https://github.com/materialsvirtuallab/pymatgen-analysis-diffusion
Project-Url: Issues, https://github.com/materialsvirtuallab/pymatgen-analysis-diffusion/issues
Project-Url: Pypi, https://pypi.org/project/pymatgen-analysis-diffusion
License: BSD
Keywords: ABINIT,analysis,crystal,diagrams,electronic,gaussian,materials,nwchem,phase,project,qchem,science,structure,VASP,diffusion,molecular dynamics,MD
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.9
Requires-Dist: numpy (<2.0,>=1.25.0)
Requires-Dist: pymatgen (>=2024.6.10)
Requires-Dist: joblib
Requires-Dist: ase
Requires-Dist: seaborn
Requires-Dist: pytest (>=8); extra == "ci"
Requires-Dist: pytest-cov (>=4); extra == "ci"
Requires-Dist: pytest-split (>=0.8); extra == "ci"
Requires-Dist: maggma; extra == "ci"
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Provides-Extra: ci
Provides-Extra: docs
Description-Content-Type: text/x-rst
License-File: LICENSE
[Description omitted; length: 3055 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (70.3.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
pymatgen/analysis/diffusion/__init__.py sha256=E-duZgcfxovVxBRFtJ-B2Ar2M612j-tzrhPVxDgvTFQ 340
pymatgen/analysis/diffusion/analyzer.py sha256=Yh-3XQ5OeDvsDNlaTIkj_slqo68koRrh-6F2AAb2Zyo 44167
pymatgen/analysis/diffusion/aimd/__init__.py sha256=b8n0YSGWPFlGk_YmnQYaF56Dyups5Le6COp7UJ2DFvE 44
pymatgen/analysis/diffusion/aimd/clustering.py sha256=-TP35v7EJimBaWHSQUas5w9lX6rjuoKXpIG1kaZ9DJw 7388
pymatgen/analysis/diffusion/aimd/pathway.py sha256=AKHl87Dqvl_DtbgzmrdOcL9WcagBwb1jI09pFH8sXXo 13948
pymatgen/analysis/diffusion/aimd/rdf.py sha256=Hr_Yb7MrscIclc9j_WBbjehaBUVUnVsBjIw3FIxcswg 17884
pymatgen/analysis/diffusion/aimd/van_hove.py sha256=NC0fHDew_NbbkFc1Wo3nhGM-zm8yQsSciXQBtYdK1cU 21149
pymatgen/analysis/diffusion/aimd/tests/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pymatgen/analysis/diffusion/aimd/tests/test_clustering.py sha256=pTs3uCh7wZZ4ZviIHAZtIPrZ9LmDEphkg-RH4IhWMvk 1794
pymatgen/analysis/diffusion/aimd/tests/test_pathway.py sha256=eQmaMfOnxKc72QWg8NIkBLjkVBwg94iQqpyTBgIkaxY 4786
pymatgen/analysis/diffusion/aimd/tests/test_rdf.py sha256=e0mHGgMtB-VPk_f7EboEkKQGlUI5MQ41LsvolARJGwY 1454
pymatgen/analysis/diffusion/aimd/tests/test_van_hove.py sha256=7LJ9Z5eQ9k7EUE7g9SIUc2BmUo_dw6XRj0ozob2IEro 6759
pymatgen/analysis/diffusion/neb/__init__.py sha256=-WXazx0khn2NhDVRPVD92mkdPyy0H9FJ8LuC8gVQTTQ 71
pymatgen/analysis/diffusion/neb/full_path_mapper.py sha256=Cohyh2YsSLRpZw3R7e8IUYvkqsmFVDPjI0Lk_VYw7LY 38452
pymatgen/analysis/diffusion/neb/io.py sha256=c_2jz2l_ND4q1s-dKUbCQIolfwoQL7ME_ISLldDTcDA 4260
pymatgen/analysis/diffusion/neb/pathfinder.py sha256=rufMrIXhMDr2FOMuXLW9Y1xDKZL_VDi0F5JoZazB6l0 43088
pymatgen/analysis/diffusion/neb/periodic_dijkstra.py sha256=wvbN-yeEnF15wyd5yuCnFOp6Vun0Gwj93GcDA7nz63U 6154
pymatgen/analysis/diffusion/neb/tests/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pymatgen/analysis/diffusion/neb/tests/test_full_path_mapper.py sha256=D3pCry0o13n2Sx8ZXtM8AxGnsuMdGdVA7-Vq98t26Yo 12456
pymatgen/analysis/diffusion/neb/tests/test_io.py sha256=7i1fcMWh1s1B2chU4ExKQZoE-gv3EZaDWeVGIV2JH9Y 4437
pymatgen/analysis/diffusion/neb/tests/test_pathfinder.py sha256=T-mbSPmdmfRbnaeTeRiDL1zcKrMC1mz-ts81gSyS1W4 10862
pymatgen/analysis/diffusion/utils/__init__.py sha256=7gHDchuZEFGGhv1FGXmF0dcPsEKOzsO0Isx_ZUFhHz4 21
pymatgen/analysis/diffusion/utils/edge_data_from_sc.py sha256=pEU7x9u08VMpz5dFIu0DQEfhA8d7BdwE8bGNv7kHvJo 6513
pymatgen/analysis/diffusion/utils/maggma.py sha256=hTSZ4HtOTsyroUvStxubUWQkhlSk0tDbaJT8KeoeDvc 2270
pymatgen/analysis/diffusion/utils/parse_entries.py sha256=VTu1IR-31F49-DMqE2xWe2Dh5Vo7AyOoL5WSs-Cfr9E 12140
pymatgen/analysis/diffusion/utils/supercells.py sha256=Ak4N30PTQmymOG3j6KNQnhkde0wowe5a50yji-bRCTc 5257
pymatgen/analysis/diffusion/utils/tests/test_edge_data_from_sc.py sha256=tNKe2CaUe2gC_Ffbx27FiPQh8f78__p2TPAEOtyzFlE 4394
pymatgen/analysis/diffusion/utils/tests/test_maggma.py sha256=Yy1Jh2L1GPh8eUQZKTfwsWoZujDxILbLhWnmioNOnSU 1058
pymatgen/analysis/diffusion/utils/tests/test_parse_entries.py sha256=w_FGxw8e3USKe4I6nxUbVwscoh-rCSzFFUe68BKsCO4 5301
pymatgen_analysis_diffusion-2024.7.15.dist-info/LICENSE sha256=QvtwXBE6Pzz640srk7Wf5siR0bJBLsVkVfrupMgtQyQ 1525
pymatgen_analysis_diffusion-2024.7.15.dist-info/METADATA sha256=bRjZlYVbh9JXsn3NJR6Mvmqfr2nxPb8OOeojOyH0EDk 5063
pymatgen_analysis_diffusion-2024.7.15.dist-info/WHEEL sha256=Z4pYXqR_rTB7OWNDYFOm1qRk0RX6GFP2o8LgvP453Hk 91
pymatgen_analysis_diffusion-2024.7.15.dist-info/top_level.txt sha256=hw3_MuYkbiMKbj1W3PJuWYeiYcB1owVQYj-SHQbvoWc 9
pymatgen_analysis_diffusion-2024.7.15.dist-info/RECORD — —

top_level.txt

pymatgen