change_box can't change boundaries

Submitted by msandli on Fri, 03/27/2015 - 03:38

I'm trying to use a change box command after a read_restart command to change the boundary conditions. My script looks like this (very general):

read_restart file.restart
.
.
.
run 0 <------ this is suggested in the liggghts manual, under error messeges
change_box all boundary f p f
.
.
.

I still get the error messege "boundary command used after simulation box is defined"

is there another way to change the boundary conditions after reading a restart file?

ckloss's picture

ckloss | Fri, 04/03/2015 - 10:11

Hi,

if you use "change_box" before "run 0" it should work. Some command will need a "run 0" so that all properties are available for dump - not sure if this is the case for your setup

Christoph

msandli | Wed, 04/08/2015 - 03:41

Nope, that doesn't work. putting the change_box command before run 0 gives me error: "Cannot change_box after reading restart file with per-atom info", which is what led me to my attempt above.

msandli | Wed, 04/08/2015 - 18:50

I had an extra "boundary" command that I forgot to delete, the initial configuration works now, sorry