Dear lammps users
I have been doing Voronoi analysisLike : compute 6 all Voronoi/atom occupation
This compute will give if the lattice sites occupied with more than atom or if it is empty, which will be used for dump into the Wigner-Seitz analysis
but my question is, is there any way in lammps to get the ID of these defects or vacancy, I need these defects ID’s (or maybe the original atom placed in lattice ID before collisions ) to visualize the displacement only without other systems; atom
like I need to visualize the SIA and vacancy by times from PKA collisions without visualizing other systems atoms,
Thank you
Dear lammps users
I have been doing Voronoi analysis
Like : compute 6 all Voronoi/atom *occupation*
This compute will give if the lattice sites occupied with more than atom
or if it is empty, which will be used for dump into the
Wigner-Seitz analysis
but my question is, is there any way in lammps to get the ID of these
defects or vacancy, I need these defects ID's (or maybe the original atom
placed in lattice ID before collisions ) to visualize the displacement only
without other systems; atom
like I need to visualize the SIA and vacancy by times from PKA collisions
without visualizing other systems atoms,
http://lammps.sandia.gov/doc/dump.html
Specifically, look at the dump local command.
The compute voronoi/atom doc page explains
that with the neighbor option enabled, a “local”
set of ouput is calculated. That is what you can dump
via dump local.
Steve