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mkite-vasp

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24.9.5 mkite_vasp-24.9.5-py3-none-any.whl

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Project: mkite-vasp
Version: 24.9.5
Filename: mkite_vasp-24.9.5-py3-none-any.whl
Download: [link]
Size: 19863
MD5: be0c8c6dc99dd7a491792c4c11fec999
SHA256: 8790252cc2f1fd04e166b6a5c00062c942b63aa3b9344d7bd3abb5e70ccee9e4
Uploaded: 2024-09-05 17:53:54 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: mkite_vasp
Version: 24.9.5
Summary: mkite_vasp is a plugin to execute VASP calculations using mkite
Author-Email: Daniel Schwalbe-Koda <dskoda[at]ucla.edu>
Keywords: workflow,materials-science
Requires-Python: >=3.8
Requires-Dist: pymatgen
Requires-Dist: custodian
Requires-Dist: pydantic (>=2.0)
Description-Content-Type: text/markdown
License-File: LICENSE
License-File: NOTICE
[Description omitted; length: 1840 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (74.1.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
mkite_vasp/__init__.py sha256=nGkDlcWQSyg9pQrqsNuBZvV8bKZVLHCsr5ly-1_1akw 149
mkite_vasp/parsers/__init__.py sha256=qVsfFyoGtyZEWCS_c-SWS0epWebegLp7w9UF0PVPDi4 95
mkite_vasp/parsers/bands.py sha256=nkdjpamGH37aqNHJMjg-sx7YRbyGHYYOY4FC6IgEfls 2740
mkite_vasp/parsers/base.py sha256=jFDK3-u5ei7YNemzQm-l9wV2UreqnvrRPsDESmwwnhQ 2561
mkite_vasp/parsers/dos.py sha256=hE2GzFpUyqu_c8B1vXt1100QSSplFeMeAtDL25GtL6E 1865
mkite_vasp/recipes/__init__.py sha256=ZcG9Q8DJBOrGJuNFrqMqbxVwptyJjOiitlyEVtLyArM 79
mkite_vasp/recipes/base.py sha256=AU3J_lUe3xQ-QQOyJECDH9c7JWUVzoN2EG6Mqf_t-f4 2418
mkite_vasp/recipes/errors.py sha256=9wpDWXi5x3lpB0AEoQWjlJV0NuiXHiFRHF-46iXEZGM 1016
mkite_vasp/recipes/pipes.py sha256=shlO4P14lyZzWJAHkhdLr5sBZGG1CaztBea7vWUU_uY 388
mkite_vasp/recipes/pbe/__init__.py sha256=azYMcmDEe9tpmH2MfEpX7Yq-plJ3EOYqiZ7edPL4nnU 97
mkite_vasp/recipes/pbe/relax.py sha256=r-oRuxm7PvdbpdsnwfuMqcr2REtwix9GtsGurKD4VDM 643
mkite_vasp/recipes/pbe/static.py sha256=50CqWz6CECZ-9WdFFsVgEisNfXjrAcU4GTYXG8tfdoQ 628
mkite_vasp/recipes/rpbe/__init__.py sha256=VsxL0mhNVSM3WHrSGc9jtA2LR-xhDfYcPqv1iS0eL_E 134
mkite_vasp/recipes/rpbe/dos.py sha256=1qFyGlLxcWaH4z7XQVc-WreoyvRbgIgu9NGJL0WpURE 871
mkite_vasp/recipes/rpbe/relax.py sha256=fja7CxFKQesDsQRlfK2kxkklt92RUyVj_KpzcZyGpwE 546
mkite_vasp/recipes/rpbe/static.py sha256=oT4rVOopoLrInbN0P5EjF18p8Tab3t99cdKDhgGjl_c 657
mkite_vasp/runners/__init__.py sha256=fIvjbWiw0A4AknM_nA5KZNxq3Yo5cSneF968MGlc5Q4 39
mkite_vasp/runners/custodian.py sha256=0Ml1H6Hw2xX8g2sto8TDLoZLtMA03_DnTVbS_8vk7pk 886
mkite_vasp/settings/__init__.py sha256=5BXM7EEeL4xSDw_7nz-fLF9VpXSC1_o90uwjAPSR5kY 48
mkite_vasp/settings/settings.py sha256=tFG-aGoh0ZedwNJeomG8XIrFXwgX9eseaM7c7M3UoCo 986
mkite_vasp/tests/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
mkite_vasp/tests/test_recipe.py sha256=DxQwHxzHUHkwK2pGofM-nyzz3nv9hzGHx9Rll-EjwLo 2051
mkite_vasp/tests/test_runner.py sha256=bX3XsAR3kUEm0SwB1ovNaaA6pjmXnimwqdJxGuRMq4w 785
mkite_vasp/tests/test_settings.py sha256=U5rL6DJWkowx1OhZaw5BTsEJTTnsknI2Vk_rFbp3fv8 506
mkite_vasp/tests/files/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
mkite_vasp-24.9.5.dist-info/LICENSE sha256=Yv_0urZTj2kZnFn7DB1hdipxHNqjx4NwuESohx22br4 12276
mkite_vasp-24.9.5.dist-info/METADATA sha256=AM48v1SnXo_9kq55bTH0vZoB7bWt9G2T1OdrBVhiil4 2244
mkite_vasp-24.9.5.dist-info/NOTICE sha256=9CR93geVKl_4ZrJORbXN0fzkEM2y4DglWhY1hn9ZwQw 1167
mkite_vasp-24.9.5.dist-info/WHEEL sha256=cVxcB9AmuTcXqmwrtPhNK88dr7IR_b6qagTj0UvIEbY 91
mkite_vasp-24.9.5.dist-info/entry_points.txt sha256=DvyNaM5RyOxTpOWENNJzdzUsmcLKI1bFOqulpWaEgIo 315
mkite_vasp-24.9.5.dist-info/top_level.txt sha256=ox1DNXBOc10O8hj-GF_gJ77WajVWKCD9t7morDe6Um8 11
mkite_vasp-24.9.5.dist-info/RECORD — —

top_level.txt

mkite_vasp

entry_points.txt

[mkite.recipes]
vasp.pbe.relax = mkite_vasp.recipes.pbe:RelaxPBEVaspChain
vasp.pbe.static = mkite_vasp.recipes.pbe:StaticPBEVaspChain
vasp.rpbe.dos = mkite_vasp.recipes.rpbe:DosRPBEVaspChain
vasp.rpbe.relax = mkite_vasp.recipes.rpbe:RelaxRPBEVaspChain
vasp.rpbe.static = mkite_vasp.recipes.rpbe:StaticRPBEVaspChain