Homec4science
Diffusion lammps (lammm-devel) Browse

lammps/doc/compute_inertia.txt
2b8a2cecbe14lammm-devel

Last Change
Raw File

compute_inertia.txt
View Options

"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 inertia command :h3
[Syntax:]
compute ID group-ID inertia :pre
ID, group-ID are documented in "compute"_compute.html command
inertia = style name of this compute command :ul
[Examples:]
compute 1 micelle inertia :pre
[Description:]
Define a computation that calculates the three principal moments of
inertia I_1, I_2, and I_3 of a group of atoms. They are ordered so that
I_1 <= I_2 <= I_3. The principal moments of inertia allow to quantify
the mass distribution of objects and thus indirectly describe
deformation. The three moments are stored as a 3-element vector.
IMPORTANT NOTE: The coordinates of an atom contribute to the moments of
inertia in "unwrapped" form, by using the image flags associated with
each atom. See the "dump custom"_dump.html command for a discussion of
"unwrapped" coordinates. See the Atoms section of the
"read_data"_read_data.html command for a discussion of image flags and
how they are set for each atom. You can reset the image flags (e.g. to
0) before invoking this compute by using the "set image"_set.html
command.
[Output info:]
This compute calculates a global a global vector of length 3, which
can be accessed by indices 1-3. These values can be used by any
command that uses a global scalar value or vector values from a
compute as input. See "Section_howto 15"_Section_howto.html#howto_15
for an overview of LAMMPS output options.
The values calculated by this compute are "intensive". The values
will be in mass times distance squared "units"_units.html.
[Restrictions:] none
[Related commands:] none
[Default:] none
c4science · Help