These are compute styles contributed by users, which can be used if diff --git a/doc/compute_erotate_sphere.html b/doc/compute_erotate_sphere.html index b26349bfc0..d095a9d269 100644 --- a/doc/compute_erotate_sphere.html +++ b/doc/compute_erotate_sphere.html @@ -9,34 +9,43 @@
Syntax:
-compute ID group-ID rotate/dipole +compute ID group-ID erotate/sphere
Examples:
-compute 1 all rotate/dipole +compute 1 all erotate/sphereDescription:
-Define a computation that calculates the total rotational energy of a -group of atoms with point dipole moments. +
Define a computation that calculates the rotational kinetic energy of +a group of spherical particles.
-The rotational energy is calculated as the sum of 1/2 I w^2 over all -the atoms in the group, where I is the moment of inertia of a -disk/spherical (2d/3d) particle, and w is its angular velocity. +
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.
Output info:
The scalar value calculated by this compute is "extensive", meaning it it scales with the number of atoms in the simulation.
-Restrictions: none +
Restrictions: +
+This compute requires that particles be represented as extended +spheres and not point particles. This means they will have an angular +velocity and a diameter which is determined either by the +shape command or by each particle being assigned an +individual radius, e.g. for atom_style granular.
Related commands: none
diff --git a/doc/compute_erotate_sphere.txt b/doc/compute_erotate_sphere.txt index 3f07cec8c3..1ee0bbce80 100644 --- a/doc/compute_erotate_sphere.txt +++ b/doc/compute_erotate_sphere.txt @@ -6,34 +6,43 @@ :line -compute rotate/dipole command :h3 +compute erotate/sphere command :h3 [Syntax:] -compute ID group-ID rotate/dipole :pre +compute ID group-ID erotate/sphere :pre ID, group-ID are documented in "compute"_compute.html command -rotate/dipole = style name of this compute command :ul +erotate/sphere = style name of this compute command :ul [Examples:] -compute 1 all rotate/dipole :pre +compute 1 all erotate/sphere :pre [Description:] -Define a computation that calculates the total rotational energy of a -group of atoms with point dipole moments. +Define a computation that calculates the rotational kinetic energy of +a group of spherical particles. -The rotational energy is calculated as the sum of 1/2 I w^2 over all -the atoms in the group, where I is the moment of inertia of a -disk/spherical (2d/3d) particle, and w is its angular velocity. +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. [Output info:] The scalar value calculated by this compute is "extensive", meaning it it scales with the number of atoms in the simulation. -[Restrictions:] none +[Restrictions:] + +This compute requires that particles be represented as extended +spheres and not point particles. This means they will have an angular +velocity and a diameter which is determined either by the +"shape"_shape.html command or by each particle being assigned an +individual radius, e.g. for "atom_style granular"_atom_style.html. [Related commands:] none diff --git a/doc/compute_temp_asphere.html b/doc/compute_temp_asphere.html index a947e9c262..9ef18bd592 100644 --- a/doc/compute_temp_asphere.html +++ b/doc/compute_temp_asphere.html @@ -53,7 +53,7 @@ particles, so they do not rotate. inertia tensor for the aspherical particle and w is its angular velocity, which is computed from its angular momentum. -IMPORTANT NOTE: Fo 2d models, particles are treated +
IMPORTANT NOTE: For 2d models, particles are treated as ellipsoids, not ellipses, meaning their moments of inertia will be the same as in 3d.
diff --git a/doc/compute_temp_asphere.txt b/doc/compute_temp_asphere.txt index b006943f3e..56989e0a22 100755 --- a/doc/compute_temp_asphere.txt +++ b/doc/compute_temp_asphere.txt @@ -50,7 +50,7 @@ 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. -IMPORTANT NOTE: Fo "2d models"_dimension.html, particles are treated +IMPORTANT NOTE: For "2d models"_dimension.html, particles are treated as ellipsoids, not ellipses, meaning their moments of inertia will be the same as in 3d. diff --git a/doc/compute_temp_sphere.html b/doc/compute_temp_sphere.html index c9cc6b4c0c..6e824c1c9d 100644 --- a/doc/compute_temp_sphere.html +++ b/doc/compute_temp_sphere.html @@ -39,7 +39,7 @@ degrees of freedom (2 translational, 1 rotational). moment of inertia for a sphere and w is the particle's angular velocity. -IMPORTANT NOTE: Fo 2d models, particles are treated +
IMPORTANT NOTE: For 2d models, particles are treated as spheres, not disks, meaning their moment of inertia will be the same as in 3d.
diff --git a/doc/compute_temp_sphere.txt b/doc/compute_temp_sphere.txt index 47afe76ed2..31df8a5527 100755 --- a/doc/compute_temp_sphere.txt +++ b/doc/compute_temp_sphere.txt @@ -36,7 +36,7 @@ The rotational kinetic 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: Fo "2d models"_dimension.html, particles are treated +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.