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  • giannozz's avatar
    Pre-final changes to atomic wavefunction code · dad7c185
    giannozz authored
    - Code for atomic wavefunction calculation collected into module atwfc_mod.f90
    - Module uspp_data.f90 no longer used, deleted
    - For now no algorithmic changes, just moving code around, but ...
    - ... pw2wannier, XSpectra, QEHeat were using variables from uspp_data that are now locally defined: BEWARE SIDE EFFECTS
    dad7c185