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    6 repositories

    • PotentialCalculation.jl

      Public
      Calculate potential energy surface between two molecules
      chemistryjuliapotential-energy-surfaces
      Julia
      •
      MIT License
      •0•0•1•0•Updated Jun 24, 2024Jun 24, 2024

    • IRSpectrum.jl

      Public
      Calculate IR-spectrum from dipole trajectory
      Julia
      •
      MIT License
      •0•1•3•0•Updated Nov 28, 2023Nov 28, 2023

    • PackageRegistry

      Public
      Julia package repository for MatrixLabTools programs
      MIT License
      •0•0•0•0•Updated Nov 28, 2023Nov 28, 2023

    • PotentialFitting.jl

      Public
      Tools to fit potential calculated with PotentialCalculation
      Julia
      •
      MIT License
      •0•0•3•1•Updated Nov 22, 2023Nov 22, 2023

    • PotentialDB.jl

      Public
      Functionality to store data generated by PotentialCalculation
      Julia
      •
      MIT License
      •0•0•1•1•Updated Oct 29, 2023Oct 29, 2023

    • Psi4Calculator.jl

      Public
      Julia
      •
      MIT License
      •0•0•0•0•Updated Jul 7, 2023Jul 7, 2023