Hi all,
I am using lammps version March 31, 2017. I am trying to simulate an anisotropic system with non-periodic boundary condition along z direction of a box. I wanted to change the box boundary along z after some intervals. Initially, the box boundaries were
orthogonal box = (5.961 5.961 5.96087) to (21.1832 21.1832 23.4232)
I used change_box command as shown:
change_box all z delta 0.0 2.24 boundary p p m units box
orthogonal box = (5.66715 5.66715 5.42676) to (21.477 21.477 26.6443)
As I mentioned the change in lower boundary of z is 0 then why it gets changed?. As I used it for multiple times and lower z value is changing inspite of change in zlo is 0. Also, the change is not 2.24, it is greater than 2.24. What is the reason behind this?
Hi all,
I am using lammps version March 31, 2017. I am trying to simulate an
anisotropic system with non-periodic boundary condition along z direction
of a box. I wanted to change the box boundary along z after some intervals.
Initially, the box boundaries were
orthogonal box = (5.961 5.961 5.96087) to (21.1832 21.1832 23.4232)
I used change_box command as shown:
change_box all z delta 0.0 2.24 boundary p p m units box
orthogonal box = (5.66715 5.66715 5.42676) to (21.477 21.477 26.6443)
As I mentioned the change in lower boundary of z is 0 then why it gets
changed?. As I used it for multiple times and lower z value is changing
inspite of change in zlo is 0. Also, the change is not 2.24, it is greater
than 2.24. What is the reason behind this?
there is not enough information here to make an assessment of what is
going on with sufficient confidence.
most likely there are operations happening between the original creation of
the simulation box and the point where you issue the change_box command.
when i run the following input:
region box block 6 20 6 20 6 20
create_box 1 box
change_box all z delta 0.0 2.24 boundary p p m units box
i get the expected behavior:
$ ./lmp_omp -in in.box
LAMMPS (1 Sep 2017)
using 1 OpenMP thread(s) per MPI task
Created orthogonal box = (6 6 6) to (20 20 20)
1 by 1 by 1 MPI processor grid
Changing box ...
orthogonal box = (6 6 6) to (20 20 22.24)
Total wall time: 0:00:00
axel.