aiida-orca
View on PyPI — Reverse Dependencies (1)
0.7.0 | aiida_orca-0.7.0-py3-none-any.whl |
Wheel Details
Project: | aiida-orca |
Version: | 0.7.0 |
Filename: | aiida_orca-0.7.0-py3-none-any.whl |
Download: | [link] |
Size: | 50288 |
MD5: | 1c7b16ac887ba08a00cea62aaddacc94 |
SHA256: | d36bc5606fe131d98f00ede4b854448606b2bfcee357ab500b48cfe09798fccc |
Uploaded: | 2023-05-21 21:53:04 +0000 |
dist-info
METADATA · WHEEL · RECORD · entry_points.txt
METADATA
WHEEL
Wheel-Version: | 1.0 |
Generator: | flit 3.9.0 |
Root-Is-Purelib: | true |
Tag: | py3-none-any |
RECORD
Path | Digest | Size |
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aiida_orca/__init__.py | sha256=GryO0Z5WYYq4wq7n5aP-wJpUdjZUyosWpd6x2qnvW5E | 71 |
aiida_orca/calculations/__init__.py | sha256=vk71Ap4P_f-PHULuCldThnvCPIntBesm07Vh4ssnF94 | 128 |
aiida_orca/calculations/orca_asa.py | sha256=cHy8fkRnK7AsnY_MZLj27ICYV-Zbe76fawRNQb0HqPo | 1319 |
aiida_orca/calculations/orca_orca.py | sha256=mWIh5g7gBVlZDl7iys6hlv43WidAKLjwQvOFMzjpoY8 | 5819 |
aiida_orca/parsers/__init__.py | sha256=2adKibnjYnBzUqXPvQ5dV358_7qXuEBAbwm2ftMEZ-k | 4680 |
aiida_orca/parsers/cclib/LICENSE | sha256=Z6AcMCyvQQOhp-S67dA71NULexRI-Wf4-Xikp5pLoIo | 1526 |
aiida_orca/parsers/cclib/__init__.py | sha256=AxO60VE7X3aioify6e0CeNk_yj0DkfQOl0l212kayU0 | 43 |
aiida_orca/parsers/cclib/ccio.py | sha256=hpKIIeXq35T9QLYrMkgFbCwikaKQUw2u92Kqgd1ETBc | 1009 |
aiida_orca/parsers/cclib/data.py | sha256=IoFamrE6Re0KvIM-S6XbfD605A-Q2FEhbo4fheQLb_I | 21650 |
aiida_orca/parsers/cclib/logfileparser.py | sha256=XEY5aLsWEfUNQcaxsvMNdGcZblXGRmiaViWiO1YZrb8 | 19078 |
aiida_orca/parsers/cclib/orcaparser.py | sha256=nT6lvuAVHLoWC1Qy4wHYmPJ9UkZwU1HzI58UKJLkOwg | 103986 |
aiida_orca/parsers/cclib/utils.py | sha256=6v9yVFC7xrye54OjeUs9zeQfAoRn72R7r8l6wsNrq5M | 2237 |
aiida_orca/utils/__init__.py | sha256=UPNF88fhYhyeZ0HukIxn6dB9ZIGRUZv9m698aQPXnSw | 102 |
aiida_orca/utils/input_generator.py | sha256=D3pMbucXy_1Aew4HV7Zc-uuvuAvBTyyj5gZTYvRuEvo | 1050 |
aiida_orca/workchains/__init__.py | sha256=HjJO_9gmdKLIiPObov4OMQy0yvxYjhL4atNALeKZdxQ | 95 |
aiida_orca/workchains/base.py | sha256=DLFtUx8KyRZIkmmq7PVPyK7Qqumlpf0BDIl9LraQYAg | 3377 |
aiida_orca-0.7.0.dist-info/entry_points.txt | sha256=hXcbyZ-Nme5LmpOD8ymm-WWKls7DC12uSkR9jyluc_4 | 261 |
aiida_orca-0.7.0.dist-info/LICENSE | sha256=5AabXi8O_Vxi9fmv4iqkgT-gkv67zlUzj_9DndOKJsU | 1078 |
aiida_orca-0.7.0.dist-info/WHEEL | sha256=EZbGkh7Ie4PoZfRQ8I0ZuP9VklN_TvcZ6DSE5Uar4z4 | 81 |
aiida_orca-0.7.0.dist-info/METADATA | sha256=Alf_IyfGixF3di9XhHA-hzc-wclACdGyJ0bZ4Jwvs-U | 6636 |
aiida_orca-0.7.0.dist-info/RECORD | — | — |
entry_points.txt
orca.asa = aiida_orca.calculations:OrcaAsaCalculation
orca.orca = aiida_orca.calculations:OrcaCalculation
orca_base_parser = aiida_orca.parsers:OrcaBaseParser
orca.base = aiida_orca.workchains:OrcaBaseWorkChain