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Paketti: debichem-periodic-abinitio (0.0.11)

DebiChem Periodic Ab Initio Calculations

This metapackage will install packages doing periodic ab initio calculations which might be useful for chemists.

Muut pakettiin debichem-periodic-abinitio liittyvät paketit

  • depends
  • recommends
  • suggests
  • rec: abinit
    package for electronic structure calculations
  • rec: cp2k
    Ab Initio Molecular Dynamics
  • rec: gpaw
    DFT and beyond within the projector-augmented wave method
  • rec: nwchem
    High-performance computational chemistry software (default MPI)
  • rec: openmx
    package for nano-scale material simulations
  • rec: quantum-espresso
    Electronic-Structure and Ab-Initio Molecular Dynamics Suite
  • rec: wannier90
    Maximally Localized Wannier Functions - executables

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