forked from lijiext/lammps
62 lines
1.9 KiB
Plaintext
62 lines
1.9 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 erotate/rigid command :h3
|
|
|
|
[Syntax:]
|
|
|
|
compute ID group-ID erotate/rigid fix-ID :pre
|
|
|
|
ID, group-ID are documented in "compute"_compute.html command
|
|
erotate/rigid = style name of this compute command
|
|
fix-ID = ID of rigid body fix :ul
|
|
|
|
[Examples:]
|
|
|
|
compute 1 all erotate/rigid myRigid :pre
|
|
|
|
[Description:]
|
|
|
|
Define a computation that calculates the rotational kinetic energy of
|
|
a collection of rigid bodies, as defined by one of the "fix
|
|
rigid"_fix_rigid.html command variants.
|
|
|
|
The rotational energy of each rigid body is computed as 1/2 I Wbody^2,
|
|
where I is the inertia tensor for the rigid body, and Wbody is its
|
|
angular velocity vector. Both I and Wbody are in the frame of
|
|
reference of the rigid body, i.e. I is diagonalized.
|
|
|
|
The {fix-ID} should be the ID of one of the "fix rigid"_fix_rigid.html
|
|
commands which defines the rigid bodies. The group specified in the
|
|
compute command is ignored. The rotational energy of all the rigid
|
|
bodies defined by the fix rigid command in included in the
|
|
calculation.
|
|
|
|
[Output info:]
|
|
|
|
This compute calculates a global scalar (the summed rotational energy
|
|
of all the rigid bodies). This value can be used by any command that
|
|
uses a global scalar value from a compute as input. See
|
|
"Section_howto 15"_Section_howto.html#howto_15 for an overview of
|
|
LAMMPS output options.
|
|
|
|
The scalar value calculated by this compute is "extensive". The
|
|
scalar value will be in energy "units"_units.html.
|
|
|
|
[Restrictions:]
|
|
|
|
This compute is part of the RIGID package. It is only enabled if
|
|
LAMMPS was built with that package. See the "Making
|
|
LAMMPS"_Section_start.html#start_3 section for more info.
|
|
|
|
[Related commands:]
|
|
|
|
"compute ke/rigid"_compute_erotate_ke_rigid.html
|
|
|
|
[Default:] none
|