cesmix-mit/ElectronicStructure.jl

[WIP] ElectronicStructure.jl

Package goals:

• Provide access to electronic structure / DFT data.
  • Wrapper to DFT data generators, e.g.
    • DFTK.jl or Qantum ESPRESSO
    • Ad-hoc surrogate data generators
• Management of large data sets.

Developed as part of CESMIX.