Basically my aim is to calculate the coordination number of all atom types.
After the description of coordinates in unit cell, I am giving :
compute coord all coord/atom cutoff 2.0 *
run 0
I am using LAMMPS 30 July 2016.
Regards
Arihant
Basically my aim is to calculate the coordination number of all atom types.
After the description of coordinates in unit cell, I am giving :compute coord all coord/atom cutoff 2.0 *
run 0I am using LAMMPS 30 July 2016.
please compare to the manual of your specific version or upgrade LAMMPS to
the latest patch level.
the online version of the manual *always* reflects the syntax for the
*latest* development version and that syntax for this compute changed with
the 17 Jan 2017 patch release, as can be seen at:
http://lammps.sandia.gov/bug.html
axel.