I am trying to run an initial lammps script in python, and then use a loop
to extract the velocities after running for 32 timesteps. However, after
the initial lammps script is run *sometimes* the loop used for extraction
fails, that is, the simulation does not actually run, and is seen by
unchanging thermodynamic data. Whether it works or not seems to be
Here is the python script used to first run the lammps script and loop:
Here is the initial lammps script that is run first:
Here is the output for when it works:
- Line 94, it can be seen that the simulation advances.
Here is the output for when it fails:
- Line 94, it can be seen that the simulation does not advance.
Thank you for your time,