I want to minimize the energy of multiple input geometries. Therefore I loop
over several data-files via
where the name of the data file is a variable. However, this results in the
"Cannot read_data after simulation box is defined"
and the LAMMPS help explains
"The read_data command cannot be used after a read_data, read_restart, or
While the explanation is clear to me, I wonder if and how I can loop over
different input geometries. Any help is greatly appreciated!