dump custom (using equal-style variable)

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1

Dear LAMMPS users,

I was wondering if I can dump a non atom-style variable. In the
documentation for dump I could only find atom-style variables.

What I want to do: Dump the (total) potential energy.

What I know is that I can define an atom-style variable by:
variable Epot atom pe
Then dump it by the command:
dump 1 all custom 1 custom.dump v_Epot

But here I would be interested in the total potential energy
not the atom-wise potential energy.

Thanks in advance to everybody reading this.

Best wishes,
Stephan

2

Dear LAMMPS users,

I was wondering if I can dump a non atom-style variable. In the
documentation for dump I could only find atom-style variables.

dump custom can only output custom per-atom properties.

What I want to do: Dump the (total) potential energy.

just use fix print for that or parse the output in the log file. it is
straightforward to do. or you can use Pizza.py for it.

axel.