compute_erotate_asphere.txt
3b8ecd5c0634lammps-icms

compute_erotate_asphere.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 erotate/asphere command :h3

			[Syntax:]

			compute ID group-ID erotate/asphere :pre

			ID, group-ID are documented in "compute"_compute.html command
			erotate/asphere = style name of this compute command :ul

			[Examples:]

			compute 1 all erotate/asphere :pre

			[Description:]

			Define a computation that calculates the rotational kinetic energy of
			a group of aspherical particles. The aspherical particles can be
			ellipsoids, or line segments, or triangles. See the
			"atom_style"_atom_style.html and "read_data"_read_data.html commands
			for descriptions of these options.

			For all 3 types of particles, the rotational kinetic energy is
			computed as 1/2 I w^2, where I is the inertia tensor for the
			aspherical particle and w is its angular velocity, which is computed
			from its angular momentum if needed.

			NOTE: For "2d models"_dimension.html, ellipsoidal particles are
			treated as ellipsoids, not ellipses, meaning their moments of inertia
			will be the same as in 3d.

			[Output info:]

			This compute calculates a global scalar (the KE). 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 requires that ellipsoidal particles atoms store a shape
			and quaternion orientation and angular momentum as defined by the
			"atom_style ellipsoid"_atom_style.html command.

			This compute requires that line segment particles atoms store a length
			and orientation and angular velocity as defined by the "atom_style
			line"_atom_style.html command.

			This compute requires that triangular particles atoms store a size and
			shape and quaternion orientation and angular momentum as defined by
			the "atom_style tri"_atom_style.html command.

			All particles in the group must be finite-size. They cannot be point
			particles.

			[Related commands:] none

			"compute erotate/sphere"_compute_erotate_sphere.html

			[Default:] none

lammps/doc/src/compute_erotate_asphere.txt3b8ecd5c0634lammps-icms

compute_erotate_asphere.txtView Options

lammps/doc/src/compute_erotate_asphere.txt
3b8ecd5c0634lammps-icms

compute_erotate_asphere.txt
View Options