Example inputs files for LAMMPS simulation of silica glass

In the folder examples/data/Silica/lammps you can find an example LAMMPS input file, to generate heat-flux data that can be analyzed with SporTran. To run it you need a working LAMMPS installation and to launch the simulation with, for example:

mpirun -np 12 lmp_mpi -in silica.in -log silica.out

After this it is possible to extract the data and export it into a simple table file and a numpy binary data file by running the script convert_lammps_log.sh. This input generated the data used in the silica examples.