♫ IIT contribution to WP1 - 1.7 Integration
JA has access to a wide range of computer systems, maintains websites
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