roa

Tools to work with psi4 for vibrational Raman optical activity

Name		Name	Last commit message	Last commit date
Latest commit History 43 Commits
examples		examples
hoohBenchmark		hoohBenchmark
Psi4ROA.py		Psi4ROA.py
README.ipynb		README.ipynb
README.md		README.md
__init__.py		__init__.py
cfour.py		cfour.py
mode_scatter.py		mode_scatter.py
old-compare.py		old-compare.py
plot.py		plot.py
psi4_read.py		psi4_read.py
scatter.py		scatter.py
spectrum.py		spectrum.py

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