forked from lijiext/lammps
49 lines
1.1 KiB
Plaintext
49 lines
1.1 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
|
|
|
|
:link(lws,http://lammps.sandia.gov)
|
|
:link(ld,Manual.html)
|
|
:link(lc,Section_commands.html#comm)
|
|
|
|
:line
|
|
|
|
compute ke/atom command :h3
|
|
|
|
[Syntax:]
|
|
|
|
compute ID group-ID ke/atom :pre
|
|
|
|
ID, group-ID are documented in "compute"_compute.html command
|
|
ke/atom = style name of this compute command :ul
|
|
|
|
[Examples:]
|
|
|
|
compute 1 all ke/atom :pre
|
|
|
|
[Description:]
|
|
|
|
Define a computation that calculates the per-atom translational
|
|
kinetic energy for each atom in a group.
|
|
|
|
The kinetic energy is simply 1/2 m v^2, where m is the mass and v is
|
|
the velocity of each atom.
|
|
|
|
The value of the kinetic energy will be 0.0 for atoms not in the
|
|
specified compute group.
|
|
|
|
[Output info:]
|
|
|
|
This compute calculates a per-atom vector, which can be accessed by
|
|
any command that uses per-atom values from a compute as input. See
|
|
"this section"_Section_howto.html#howto_15 for an overview of LAMMPS
|
|
output options.
|
|
|
|
The per-atom vector values will be in energy "units"_units.html.
|
|
|
|
[Restrictions:] none
|
|
|
|
[Related commands:]
|
|
|
|
"dump custom"_dump.html
|
|
|
|
[Default:] none
|