Syntax: +
+compute ID group-ID erotate/sphere/atom ++
Examples: +
+compute 1 all erotate/sphere/atom ++
Description: +
+Define a computation that calculates the rotational kinetic energy for +each particle in a group. +
+The rotational energy is computed as 1/2 I w^2, where I is the moment +of inertia for a sphere and w is the particle's angular velocity. +
+IMPORTANT NOTE: For 2d models, particles are treated +as spheres, not disks, meaning their moment of inertia will be the +same as in 3d. +
+The value of the rotational kinetic energy will be 0.0 for atoms not +in the specified compute group or for point particles with a radius = +0.0. +
+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 +Section_howto 15 for an overview of +LAMMPS output options. +
+The per-atom vector values will be in energy units. +
+Restrictions: none +
+Related commands: +
+ +Default: none +
+ diff --git a/doc/compute_erotate_sphere_atom.txt b/doc/compute_erotate_sphere_atom.txt new file mode 100644 index 0000000000..98f8d7ea8d --- /dev/null +++ b/doc/compute_erotate_sphere_atom.txt @@ -0,0 +1,53 @@ +"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/sphere/atom command :h3 + +[Syntax:] + +compute ID group-ID erotate/sphere/atom :pre + +ID, group-ID are documented in "compute"_compute.html command +erotate/sphere/atom = style name of this compute command :ul + +[Examples:] + +compute 1 all erotate/sphere/atom :pre + +[Description:] + +Define a computation that calculates the rotational kinetic energy for +each particle in a group. + +The rotational energy is computed as 1/2 I w^2, where I is the moment +of inertia for a sphere and w is the particle's angular velocity. + +IMPORTANT NOTE: For "2d models"_dimension.html, particles are treated +as spheres, not disks, meaning their moment of inertia will be the +same as in 3d. + +The value of the rotational kinetic energy will be 0.0 for atoms not +in the specified compute group or for point particles with a radius = +0.0. + +[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 +"Section_howto 15"_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