Replication in compute command

LAMMPS LAMMPS Mailing List Mirror
1

Dear all,

My script consists of 5 parts: 2 minimizations and 3 main runs.

The question is: if I want to have potential energy in each of these 5 parts, should I use “compute command” 5 times among these parts? Or, is it enough to define a compute command in the beginning and use it in 5 separate “dump”?

Thanks in advance,

Nader

2

A compute (or fix, etc) stays active thru multiple

runs until you issue an uncompute command

at some point.

Steve