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.

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Adiabatic-Approximation-Code

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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
.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

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

0 stars

1 watching