Hello List,
I am currently trying to simulate the pyrolysis of a polymer with the lammps-code.
When I try to add a new molecule to my simulation box via the fix_deposit command, Iget the above error from the pair_reax_c.cpp.
Here are the relevant lines of my input script
units real
dimension 3
atom_style hybrid charge bond
bond_style harmonic
boundary p p p
read_data data.PyrolysisProject.txt
pair_style reax/c NULL
pair_coeff * * ffield.reax.cho C H O
molecule IDF molecule1.txt
group addatoms type 1:3
region gesamt block -50 50 -50 50 -50 50
fix 1 addatoms deposit 1 0 1 1 region gesamt global 15 20 mol IDF
Any idea how I can fix this?
Best regards
Maximilian Kosel