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♫ IIT contribution to WP1 - 1.7 Integration

  • JA has access to a wide range of computer systems, maintains websites and teaches documentation of codes to Computational Physics students.
  • ♫ IIT contribution to WP2 - 2.2, 2.5 Wrappers

    Four of the existing partial examples

  • PCGAMESS/Firefly electronic density output into AViz with C++ - Or Cohen
  • QuantumESPRESSO electronic density output into AViz, code written in FORTRAN (upper far left image) QuantumESPRESSO run by Valentino Cooper at Oakridge.
  • C++ code wrappers used for LAMMPS to AViz in student project by Koren Schrieber, (lower far left image). A second project of LAMMPS + AViz underway by Omri Harosh, supervised by JA and AS.
  • Python to AViz in student project by Hila Glanz and Nadir Izrael on simulation of Liquid Crystals, upper left before smectic transition, lower left, after smectic transition.
  • AFM .hdf data into AViz - Pavel Aharonov and JA.
  • All require updating/transfer to python and hdf5