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autogamess

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1.1.57 autogamess-1.1.57-py3-none-any.whl

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Project: autogamess
Version: 1.1.57
Filename: autogamess-1.1.57-py3-none-any.whl
Download: [link]
Size: 39108
MD5: 6d7f8cae646dea2a752d65e7c3363a42
SHA256: 592a463ec6555e2ec9242fca6246c2aef8afa2eae3b3b4ca17100ad138faec2e
Uploaded: 2021-04-15 03:42:40 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: autogamess
Version: 1.1.57
Summary: This is a python module for automating Raman calculations using GAMESS(us).
Author: Brian C. Ferrari
Author-Email: brianf1996[at]knights.ucf.edu
Home-Page: https://github.com/Cavenfish/autogamess
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: Microsoft :: Windows :: Windows 10
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: pandas
Requires-Dist: basis-set-exchange
Requires-Dist: PeriodicElements
Requires-Dist: openpyxl
Requires-Dist: matplotlib
Requires-Dist: xlrd
Requires-Dist: xlsxwriter
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WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.35.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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autogamess/generate_scaling_factors.py sha256=-RwKqZOXGliVX56Bnib7f2TEWbHpTE_R8DBJX7bbZR8 3624
autogamess/get_data.py sha256=nkvaSgcNNvWgwZqcEn0yZrI7Z2-F8BEzyQaIx45de-w 1917
autogamess/hes2raman.py sha256=F5WeR1SQiTVqS-lbb8_Dc7YxOU4pjcOv18CXOO8JcBA 1981
autogamess/input_builder.py sha256=qAO_r3NdixRivz9tBUmp_VB1NFEfaTNWpLJ-jV1T4DQ 8996
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autogamess/new_project.py sha256=IXfJ1O05lsTSTqLnHGVxidwG-AL6vg2bdtENM7AgWKA 7636
autogamess/opt2hes.py sha256=KctSHxWqCV3XsdQyH_kmSOZFOufLkyuciZ5neWrGTbs 2109
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autogamess/plots/prep_data.py sha256=Tije6HBaTqc-j3uufPOrasFY0PX9j0vggI4HHeKFTRI 4828
autogamess/stats/__init__.py sha256=XhZVp81PpzKJkLDnELmWGNhwNupjwL1hlRDCHT_gBTQ 171
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autogamess-1.1.57.dist-info/RECORD — —

top_level.txt

autogamess