GitHub - rmhuch/Adiabatic-Approximation-Code: python code base for managing Gaussian data and calculating progression spectra based off a 2D Adiabatic Approximation of the vibrational motions.

rmhuch / Adiabatic-Approximation-Code Public

python code base for managing Gaussian data and calculating progression spectra based off a 2D Adiabatic Approximation of the vibrational motions.

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Name		Name	Last commit message	Last commit date
Latest commit History 18 Commits
.idea		.idea
.gitignore		.gitignore
AdiabaticAnalysis.py		AdiabaticAnalysis.py
Converter.py		Converter.py
CubicNumericalTests.py		CubicNumericalTests.py
DimerTests.py		DimerTests.py
Figures.py		Figures.py
GaussianHandler.py		GaussianHandler.py
ImportanceSamplingPlots.py		ImportanceSamplingPlots.py
IntensityCalculator.py		IntensityCalculator.py
MolecularSys.py		MolecularSys.py
PlotSpectrum.py		PlotSpectrum.py
PotExpansions.py		PotExpansions.py
PotentialHandlers.py		PotentialHandlers.py
Rotator.py		Rotator.py
RunTests.py		RunTests.py
TDMexpansions.py		TDMexpansions.py
TetramerAnalysis.py		TetramerAnalysis.py
TetramerTests.py		TetramerTests.py
TrimerTests2.py		TrimerTests2.py
exp_spect.py		exp_spect.py
new2Dcalcs.py		new2Dcalcs.py
newDMcoeffs.py		newDMcoeffs.py
print_results.py		print_results.py
transitionmoment.py		transitionmoment.py