Dear LAMMPS-users,
I am running a script in which an atom is created by using the command:
create_atoms 1 single x y z
where x, y, z are the coordinates (which are initially read from a file and stored in the variables v_x, v_y, v_z). After adding this atom, the structure is relaxed using the command "minimize". The script is called many times, and it sometimes works without problems but sometimes doesn't add an atom. The behavior seems random to me, i.e. i cannot see any difference between sucessfully adding or failing. If the command works the atom is also placed as expected. After calling the script a few hundred times it fails completely and doesn't add any atoms any more - always without throwing an error.
This is the output in the .log file:
#create atom
create_atoms 1 single \{v\_x\} {v_y} \{v\_z\} create\_atoms 1 single 22\.8785 {v_y} \{v\_z\} create\_atoms 1 single 22\.8785 31\.235575 {v_z}
create_atoms 1 single 22.8785 31.235575 41.8517
Created 0 atoms #this is the problem
create_atoms CPU = 1.3113e-05 secs
Any help would be greatly appreciated! Thank you!
Kind regards,
Lukas