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@openmopac MOPAC

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    6 repositories

    • mopac

      Public
      Molecular Orbital PACkage
      quantum-chemistryelectronic-structuremolecular-orbital-theorysemiempirical-methods
      Fortran
      •
      GNU Lesser General Public License v3.0
      •31•131•14•0•Updated Dec 10, 2024Dec 10, 2024

    • mopactools

      Public
      Python tools for MOPAC calculations
      MIT License
      •0•0•0•0•Updated Nov 14, 2024Nov 14, 2024

    • MDI_MOPAC_test

      Public
      MDI Mechanic repo for MOPAC
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •2•0•0•1•Updated Oct 23, 2024Oct 23, 2024

    • mopac-archive

      Public
      An archive of source code, manuals, & data from old versions of MOPAC
      Fortran
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Feb 6, 2024Feb 6, 2024

    • mopac-feedstock

      Public
      A conda-smithy repository for mopac.
      Batchfile
      •
      BSD 3-Clause "New" or "Revised" License
      •3•0•0•0•Updated Sep 26, 2023Sep 26, 2023

    • openmopac.github.io

      Public
      Website for the Molecular Orbital PACkage (MOPAC)
      TeX
      •
      BSD 3-Clause "New" or "Revised" License
      •1•1•0•0•Updated May 6, 2022May 6, 2022