kinetic energy calculation

Submitted by kolee on Sun, 04/03/2011 - 11:58

Hi,

I would like to calculate each particle kinetic energy, potential energy (gravity) and rotational energy to total energy

please give me advice.

Dump file is x y z ... but I have to calulate them or just after simulation

extra term kinetic, rotational, potential (gravity) and total (each)

Thank you

ckloss's picture

ckloss | Mon, 04/04/2011 - 09:02

there are lots of possibilities - two of them are:
you can use variables in LIGGGHTS, or you can use pizza.py to post-process a dump file

Christoph