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compchemparser

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1.0.2 compchemparser-1.0.2-py3-none-any.whl

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Project: compchemparser
Version: 1.0.2
Filename: compchemparser-1.0.2-py3-none-any.whl
Download: [link]
Size: 20952
MD5: 3358b105951cb694880834b3048286cc
SHA256: 7e9dda1ea7ccbf7aa8f14d747e38798c7adea5c35349ce2b2865286b0a9c067d
Uploaded: 2022-03-25 23:43:22 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: compchemparser
Version: 1.0.2
Summary: The `compchemparser` package provides parsers to convert quantum chemistry log files into a more condensed JSON format.
Author: Daniel Nurkowski and Angiras Menon
Author-Email: danieln[at]cmclinnovations.com
Home-Page: https://github.com/cambridge-cares/TheWorldAvatar/tree/develop/thermo/CoMoCompChemParser
License: MIT
Requires-Python: >=3.5, <4
Requires-Dist: docopt
Requires-Dist: cclib
Description-Content-Type: text/markdown
[Description omitted; length: 2509 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.36.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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compchemparser/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
compchemparser/app.py sha256=Gz3Un6ihnCpmPTh0V7O2mOZRWhDCh2qcTk_GLgp4KAU 1381
compchemparser/main.py sha256=uKJ8rK8AleBkvAYkO_AbN-f30vn5U3BOLk6BlD2CXNo 725
compchemparser/helpers/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
compchemparser/helpers/ccutils.py sha256=oXXKISTVvVyPSURb0qGgEYyZqVdqVBCwe6IRxc0mdS0 231
compchemparser/helpers/elements_data.py sha256=zh4pmjAt3AUNLxY6yGGDLBifpdoBe8u4yt1whAm8Qsk 7246
compchemparser/helpers/params.py sha256=ubt3QBUDWQLmGVTLieBUhkrCf0BJrvZBgDiFSFur-7g 916
compchemparser/helpers/utils.py sha256=DY9aUMKMCQPVBXAphOdMDmWvS5QTkAxws6VbZ_7cJ_s 2824
compchemparser/parsers/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
compchemparser/parsers/ccgaussian_parser.py sha256=eaXdpKjVt8bR2tPO-8dXAMNazqSTKrDZKBVOE4wJ2ao 43704
tests/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/conftest.py sha256=M8OQVO3Aukr1i0jGJKpCEw8c3tkLcW9I0JsAdCl1HMU 213
tests/test_parser.py sha256=dxZ3hUjQejF0vnFL_QUzSFRtu_cAm8lMSxixUJpN9JM 5410
compchemparser-1.0.2.dist-info/LICENSE sha256=2eJdDaVAveftO7RbPLzNL0ZAEAu8TuwpcbcdaA1U0S4 1274
compchemparser-1.0.2.dist-info/METADATA sha256=2ef3Ak4acXlYdQ6ji92umgxGWZkLTXy679hn-N2x2wY 3023
compchemparser-1.0.2.dist-info/WHEEL sha256=OqRkF0eY5GHssMorFjlbTIq072vpHpF60fIQA6lS9xA 92
compchemparser-1.0.2.dist-info/entry_points.txt sha256=BNQaAtMQ2v4VopU0I4JwV4OSncfP4wB7j4gudCc8rmI 54
compchemparser-1.0.2.dist-info/top_level.txt sha256=4aB9VnKhZXFuvgiyI3jlBGVBwQHZd0Kfci5xr_AUdQk 21
compchemparser-1.0.2.dist-info/RECORD — —

top_level.txt

compchemparser
tests

entry_points.txt

[console_scripts]
ccparse = compchemparser.main:main