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0.1.6 gaussianutility-0.1.6-py3-none-any.whl

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Project: gaussianutility
Version: 0.1.6
Filename: gaussianutility-0.1.6-py3-none-any.whl
Download: [link]
Size: 22358
MD5: 431a44a3db7e263e181aec069da7224e
SHA256: 4fc151815b15b38a54f6171966f501396c62ed4056901db3217e2d45ae7b20de
Uploaded: 2024-11-20 23:43:06 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: gaussianutility
Version: 0.1.6
Summary: Useful utilities to use Gaussian09/16 software
Author: Sungil Hong
Author-Email: Sungil Hong <s.hong[at]pitt.edu>
Home-Page: https://github.com/Sungil-Hong/gaussianutility
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6
Requires-Dist: numpy (>=1.17.2)
Requires-Dist: pandas (>=1.1.0)
Requires-Dist: periodictable (>=1.6.1)
Requires-Dist: argparse (>=1.1)
Requires-Dist: matplotlib (>=3.5.1)
Requires-Dist: mendeleev (>=0.9.0)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 6256 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.1.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
gaussianutility/__init__.py sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs 1
gaussianutility/com2vasp.py sha256=NHI0DxAsliDuyypDjOwy1Wl9-mRH_zxZlY0xzmNoVsY 2619
gaussianutility/com2xyz.py sha256=6HFtkwcVcNxVQuuYxBlMnSGpX8pVvSmEkDe-oSLjI7k 1220
gaussianutility/freezeLayer.py sha256=x7TsHG9CEh1BzFPG9trTqgY-cc1yui9KY4JxT6KlWDc 2227
gaussianutility/gibbsTemp.py sha256=PFtbsUFA3t3WFnO1jcLgrxE7AwtmqnrMizZeOCi0b7A 5586
gaussianutility/out2com.py sha256=GjfFpykhwDuD1o4EJQ-xi7DKaYBvkw-XYIbB_eiUgfs 1505
gaussianutility/printE.py sha256=CyiG8IHwIKczIXny1ByTUsDvj8Ao_p6elMacx5u-hNo 2370
gaussianutility/sortInput.py sha256=kFSM0yBun3Cka9udyCCRz6LWAJMXsQhAytWOz5UwrLs 7879
gaussianutility/spectrum.py sha256=yxc3Ss4ZduE3PjMA4eP_HA0Sdxc6MJWcVMUoxAbb9KE 10654
gaussianutility/utilities.py sha256=Fvnxt4EmWe4zOP52gfWNI-djylYouG0DmIfnVZQsvJM 9087
gaussianutility/vasp2com.py sha256=m006Cs6cqWtyJFXjgr-VY9FU9a-2MIMj-pl-rCyxSKg 2450
gaussianutility/xyz2com.py sha256=Uc2d6TpvIRP_bTrm5eeJIGA49CgfRDkpIo3W_D7v2F4 1876
gaussianutility-0.1.6.dist-info/LICENSE sha256=eeEXH3ntxS2V6WkxWw7MW1Kj-SYmsvAOjJtnnUM6E_A 1068
gaussianutility-0.1.6.dist-info/METADATA sha256=HvOJlXa_XTdseu899yL16mZYjbq20A-tHMBLYbFvasw 6916
gaussianutility-0.1.6.dist-info/WHEEL sha256=GV9aMThwP_4oNCtvEC2ec3qUYutgWeAzklro_0m4WJQ 91
gaussianutility-0.1.6.dist-info/entry_points.txt sha256=OgF70LwC_ZIApj1QaxK47n1OBmEpvWC4zoVfqKZtsZw 467
gaussianutility-0.1.6.dist-info/top_level.txt sha256=8-1YbN6uQHrikaPBot-tm2HTFSzNmOy68hBqJt2UcIY 16
gaussianutility-0.1.6.dist-info/RECORD — —

top_level.txt

gaussianutility

entry_points.txt

[console_scripts]
com2vasp = gaussianutility.com2vasp:main
com2xyz = gaussianutility.com2xyz:main
freezeLayer = gaussianutility.freezeLayer:main
gibbsTemp = gaussianutility.gibbsTemp:main
out2com = gaussianutility.out2com:main
out2xyz = gaussianutility.out2xyz:main
printE = gaussianutility.printE:main
sortInput = gaussianutility.sortInput:main
spectrum = gaussianutility.spectrum:main
vasp2com = gaussianutility.vasp2com:main
xyz2com = gaussianutility.xyz2com:main