aiida-gaussian
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2.1.0 | aiida_gaussian-2.1.0-py3-none-any.whl |
Wheel Details
Project: | aiida-gaussian |
Version: | 2.1.0 |
Filename: | aiida_gaussian-2.1.0-py3-none-any.whl |
Download: | [link] |
Size: | 23700 |
MD5: | aa9e70ed453c1b490fe74bdc3e73edbd |
SHA256: | 1003189e12cdc693d09268aad38e521563fa05d6d2053fb96b66d10568db57dc |
Uploaded: | 2023-08-31 11:15:38 +0000 |
dist-info
METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt
METADATA
WHEEL
Wheel-Version: | 1.0 |
Generator: | bdist_wheel (0.41.2) |
Root-Is-Purelib: | true |
Tag: | py3-none-any |
RECORD
Path | Digest | Size |
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aiida_gaussian/__init__.py | sha256=dum9GQycz_AJmlkRR49tBI8QmpQ69ZUA7leu2uJGdQo | 149 |
aiida_gaussian/version.py | sha256=AxXfjvevlym1-9uBFM5XU8LmED2WhzY7bK-YSVeOWD4 | 101 |
aiida_gaussian/calculations/__init__.py | sha256=a7W7bG2CcoNlHiDnIaPcIuEqVBcKY5X2Q6Ho3Vubwrs | 201 |
aiida_gaussian/calculations/cubegen.py | sha256=DEalBKimt48Nj94h1b6oYZqRejBLKMxUYqEQ4n7zGl4 | 5726 |
aiida_gaussian/calculations/formchk.py | sha256=OvNlYO1BWhzozCdqiMT1OsUIEbQGhE-wte8JcHO6lWc | 2559 |
aiida_gaussian/calculations/gaussian.py | sha256=KuafgOTwJzMvk8u8xci7PbVKLG1FtVZL3bN7cdo0ew4 | 7234 |
aiida_gaussian/parsers/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
aiida_gaussian/parsers/cubegen.py | sha256=veCXxyE8RW1R5GHZelYocRlpYpLLlTSq9oWOZ9tMh9s | 4273 |
aiida_gaussian/parsers/gaussian.py | sha256=ma8JFjpgv_YkomdDuyZbYO3e8cL3mDa8Kc2Z8BEFWF0 | 8771 |
aiida_gaussian/utils/__init__.py | sha256=EemUXgY-MGexcTDaJdz-zLVHerqGHPzM0VCG5aovgs0 | 18 |
aiida_gaussian/utils/cube.py | sha256=Tgm8IXWA7RmddYsuLImhSlgMcicmVrlY0KpgAVygmkY | 7519 |
aiida_gaussian/workchains/__init__.py | sha256=_IxNyBktCkUbf59KaJ11hWw0iqRa3vdSj9HTD1uv5pY | 178 |
aiida_gaussian/workchains/base.py | sha256=DoVRHslnSapPkOJCysDGoViOdoigHYOj9-v4j75InFs | 5473 |
aiida_gaussian/workchains/cubes.py | sha256=03zggl-OjmK2KGF96RfFN4HP91lziopkFvXU_gz_IZU | 10195 |
tests/__init__.py | sha256=hMp7UKelrLs7_oVy2vTIy1caN4UEGfIHEv-9Z8SnN2I | 98 |
tests/conftest.py | sha256=8iCMmdJ6Mfq-R98Gcaaq6NVHm_EI7nLlpZI2FhOAuKk | 4196 |
tests/data/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
aiida_gaussian-2.1.0.dist-info/LICENSE | sha256=Y2J_KZXm_oPFgO9tX5r1QW34Q1INGOWCSspg_nU-DsA | 1072 |
aiida_gaussian-2.1.0.dist-info/METADATA | sha256=E2RB0iTyhPx3tlwdcR0nr8Dd7R5_NAocZwH06NZB8xE | 4293 |
aiida_gaussian-2.1.0.dist-info/WHEEL | sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A | 92 |
aiida_gaussian-2.1.0.dist-info/entry_points.txt | sha256=sfoUthln2BMdHTBUt_eKliyCZOHtVY-i7zFm-vKNMy0 | 593 |
aiida_gaussian-2.1.0.dist-info/top_level.txt | sha256=XpHQVa2XCkZcG2aUa9uWket_sbUrEciSqAdZleaMkkQ | 21 |
aiida_gaussian-2.1.0.dist-info/RECORD | — | — |
top_level.txt
aiida_gaussian
tests
entry_points.txt
gaussian = aiida_gaussian.calculations:GaussianCalculation
gaussian.cubegen = aiida_gaussian.calculations:CubegenCalculation
gaussian.formchk = aiida_gaussian.calculations:FormchkCalculation
gaussian.advanced = aiida_gaussian.parsers.gaussian:GaussianAdvancedParser
gaussian.base = aiida_gaussian.parsers.gaussian:GaussianBaseParser
gaussian.cubegen_base = aiida_gaussian.parsers.cubegen:CubegenBaseParser
gaussian.base = aiida_gaussian.workchains:GaussianBaseWorkChain
gaussian.cubes = aiida_gaussian.workchains:GaussianCubesWorkChain