Dear LAMMPS users ,
I want to perform minimization on dump files of a run and dump the minimized coordinates .
I would be grateful if you can give me any example or idea about that .
Best,
you could use read_dump command to read the dump file and use dump command to write dump files.
it feels like a tongue-twister…
Ray
And if you do it in a loop, you can read one snapshot at a time from
the old dump file. The new script can do a minimize, dump snapshots
during the minimize (or after via the write_dump command) to a new
dump file(s).
Steve