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viewORCA

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0.2.2 viewORCA-0.2.2-py3-none-any.whl

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Project: viewORCA
Version: 0.2.2
Filename: viewORCA-0.2.2-py3-none-any.whl
Download: [link]
Size: 54441
MD5: 2a113a1e355e0eb3803423642dc5b954
SHA256: 17b2693e5636c1d0e9092f10459fb67af81447486a4e5efe3f535f46ba344b49
Uploaded: 2024-05-20 04:18:00 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: viewORCA
Version: 0.2.2
Summary: This program is designed to allow the user to inspect calculations from ORCA. This is to be used along side the ORCA Reaction Mechanism Tutorial.
Author: Dr. Geoffrey R. Weal
Author-Email: geoffrey.weal[at]gmail.ac.nz
Home-Page: https://geoffreyweal.github.io/ORCA_Mechanism_Procedure/
Download-Url: https://github.com/geoffreyweal/viewORCA/archive/v0.2.2.tar.gz
License: GNU AFFERO GENERAL PUBLIC LICENSE
Keywords: computational-chemistry,DFT,atomic-simulation-environment,ORCA
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Natural Language :: English
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: Unix
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Mathematics
Classifier: Natural Language :: English
Classifier: License :: OSI Approved :: GNU Affero General Public License v3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Dist: packaging
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: matplotlib
Requires-Dist: ase (>=3.19.0)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 2352 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.43.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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viewORCA-0.2.2.dist-info/RECORD — —

top_level.txt

viewORCA
viewORCA/Programs
viewORCA/Programs/viewIRC_methods
viewORCA/Programs/viewNEB_methods
viewORCA/Programs/viewNEB_snapshot_methods
viewORCA/Programs/viewOPT_methods
viewORCA/Programs/viewSCAN_methods
viewORCA/Programs/viewSCAN_methods/obtain_SCAN_information_method
viewORCA/Programs/viewSCAN_methods/utility_methods
viewORCA/cli