Hello, I recently started working on the pyrolysis of polyethylene using the Lammps package.Everything is going well so far, and I have log.lammps, lammpstrj, and species.txt files in my output folder. However, I’m still struggling to find a command in Lammps to calculate the weight percentage of species produced over time.
I would greatly appreciate the guidance of someone experienced in this field. Thank you.
There isn’t such a command.
It would be pretty straightforward, though, to compute this information from post-processing the output of fix reaxff/species.
Thank you for your guidance.