Name		Name	Last commit message	Last commit date
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.github		.github
SoAPy		SoAPy
devtools		devtools
docs		docs
.codecov.yml		.codecov.yml
.gitattributes		.gitattributes
.gitignore		.gitignore
.lgtm.yml		.lgtm.yml
CODE_OF_CONDUCT.md		CODE_OF_CONDUCT.md
LICENSE		LICENSE
MANIFEST.in		MANIFEST.in
README.md		README.md
pyproject.toml		pyproject.toml
readthedocs.yml		readthedocs.yml
setup.cfg		setup.cfg

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SoAPy

A package for research on SOlvation Algorithms in PYthon, SoAPy.

Copyright

Copyright (c) 2023, Brendan Shumberger

Acknowledgements

Project based on the Computational Molecular Science Python Cookiecutter version 1.1.

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Package for simulating ROA and VCD spectra from explicit solvation protocols with geometries obtained from molecular dynamics trajectories. SOlvation Algorithm in Python (SoAPy).

BSD-3-Clause license

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