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MatrixLabTools

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PotentialCalculation.jl PotentialCalculation.jl Public

Calculate potential energy surface between two molecules

Julia
PotentialDB.jl PotentialDB.jl Public

Functionality to store data generated by PotentialCalculation

Julia
PotentialFitting.jl PotentialFitting.jl Public

Tools to fit potential calculated with PotentialCalculation

Julia

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Showing 6 of 6 repositories

IRSpectrum.jl Public
Calculate IR-spectrum from dipole trajectory

Julia 1 MIT 0 3 0 Updated Nov 28, 2023
PackageRegistry Public
Julia package repository for MatrixLabTools programs

0 MIT 0 0 0 Updated Nov 28, 2023
PotentialFitting.jl Public
Tools to fit potential calculated with PotentialCalculation

Julia 0 MIT 0 3 1 Updated Nov 22, 2023
PotentialCalculation.jl Public
Calculate potential energy surface between two molecules

Julia 0 MIT 0 1 0 Updated Nov 17, 2023
PotentialDB.jl Public
Functionality to store data generated by PotentialCalculation

Julia 0 MIT 0 1 1 Updated Oct 29, 2023
Psi4Calculator.jl Public

Julia 0 MIT 0 0 0 Updated Jul 7, 2023

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