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@MatrixLabTools

MatrixLabTools

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  1. PotentialCalculation.jl PotentialCalculation.jl Public

    Calculate potential energy surface between two molecules

    Julia

  2. PotentialDB.jl PotentialDB.jl Public

    Functionality to store data generated by PotentialCalculation

    Julia

  3. PotentialFitting.jl PotentialFitting.jl Public

    Tools to fit potential calculated with PotentialCalculation

    Julia

Repositories

Showing 6 of 6 repositories
  • PotentialCalculation.jl Public

    Calculate potential energy surface between two molecules

    MatrixLabTools/PotentialCalculation.jl’s past year of commit activity
    Julia 0 MIT 0 1 0 Updated Jun 24, 2024
  • IRSpectrum.jl Public

    Calculate IR-spectrum from dipole trajectory

    MatrixLabTools/IRSpectrum.jl’s past year of commit activity
    Julia 1 MIT 0 3 0 Updated Nov 28, 2023
  • PackageRegistry Public

    Julia package repository for MatrixLabTools programs

    MatrixLabTools/PackageRegistry’s past year of commit activity
    0 MIT 0 0 0 Updated Nov 28, 2023
  • PotentialFitting.jl Public

    Tools to fit potential calculated with PotentialCalculation

    MatrixLabTools/PotentialFitting.jl’s past year of commit activity
    Julia 0 MIT 0 3 1 Updated Nov 22, 2023
  • PotentialDB.jl Public

    Functionality to store data generated by PotentialCalculation

    MatrixLabTools/PotentialDB.jl’s past year of commit activity
    Julia 0 MIT 0 1 1 Updated Oct 29, 2023
  • Psi4Calculator.jl Public
    MatrixLabTools/Psi4Calculator.jl’s past year of commit activity
    Julia 0 MIT 0 0 0 Updated Jul 7, 2023

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