From 3021068accc58954261ca3af97b1291c8ca1f966 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 18 Mar 2008 21:02:30 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1619 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Section_commands.html | 4 ++-- doc/compute_erotate_sphere.html | 29 +++++++++++++++++++---------- doc/compute_erotate_sphere.txt | 29 +++++++++++++++++++---------- doc/compute_temp_asphere.html | 2 +- doc/compute_temp_asphere.txt | 2 +- doc/compute_temp_sphere.html | 2 +- doc/compute_temp_sphere.txt | 2 +- 7 files changed, 44 insertions(+), 26 deletions(-) diff --git a/doc/Section_commands.html b/doc/Section_commands.html index a8eb7dd639..f8a81fb664 100644 --- a/doc/Section_commands.html +++ b/doc/Section_commands.html @@ -335,8 +335,8 @@ description:
- - +
centro/atomcoord/atomdisplace/atomerotate/spheregroup/groupke/atom
pepe/atompressurereducestress/atomtemp
temp/aspheretemp/comtemp/deformtemp/dipoletemp/partialtemp/ramp
temp/regiontemp/sphere +
temp/aspheretemp/comtemp/deformtemp/partialtemp/ramptemp/region
temp/sphere

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 @@

-

compute rotate/dipole command +

compute erotate/sphere command

Syntax:

-
compute ID group-ID rotate/dipole 
+
compute ID group-ID erotate/sphere 
 

 
 
Examples:
 

-
compute 1 all rotate/dipole 
+
compute 1 all erotate/sphere 
 

 
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, 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.