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    6 repositories

    • scripts

      Public
      Simple scripts that use the chemPackage.
      Python
      •3•0•0•1•Updated Dec 4, 2024Dec 4, 2024

    • chemPackage

      Public
      Python package created to manipulate NWChem input and output files
      Python
      •
      GNU General Public License v3.0
      •3•1•0•0•Updated Oct 8, 2024Oct 8, 2024

    • LIRPD

      Public
      A flexible method for simulating TERS images from locally integrated Raman polarizability densities
      Python
      •5•1•0•0•Updated Aug 16, 2023Aug 16, 2023

    • ramanbond

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Sep 10, 2021Sep 10, 2021

    • adfexcit

      Public
      The python package is created to mainly analyze the molecular orbitals and excitations in ADF calculations.
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Jun 12, 2021Jun 12, 2021

    • TDSPEC

      Public
      Fortran
      •0•1•0•0•Updated Sep 30, 2020Sep 30, 2020