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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1619 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2008-03-18 21:02:30 +00:00
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doc/Section_commands.html
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@ -335,8 +335,8 @@ description:
<DIV ALIGN=center><TABLE BORDER=1 >
<TR ALIGN="center"><TD ><A HREF = "compute_centro_atom.html">centro/atom</A></TD><TD ><A HREF = "compute_coord_atom.html">coord/atom</A></TD><TD ><A HREF = "compute_displace_atom.html">displace/atom</A></TD><TD ><A HREF = "compute_erotate_sphere.html">erotate/sphere</A></TD><TD ><A HREF = "compute_group_group.html">group/group</A></TD><TD ><A HREF = "compute_ke_atom.html">ke/atom</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "compute_pe.html">pe</A></TD><TD ><A HREF = "compute_pe_atom.html">pe/atom</A></TD><TD ><A HREF = "compute_pressure.html">pressure</A></TD><TD ><A HREF = "compute_reduce.html">reduce</A></TD><TD ><A HREF = "compute_stress_atom.html">stress/atom</A></TD><TD ><A HREF = "compute_temp.html">temp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "compute_temp_asphere.html">temp/asphere</A></TD><TD ><A HREF = "compute_temp_com.html">temp/com</A></TD><TD ><A HREF = "compute_temp_deform.html">temp/deform</A></TD><TD ><A HREF = "compute_temp_dipole.html">temp/dipole</A></TD><TD ><A HREF = "compute_temp_partial.html">temp/partial</A></TD><TD ><A HREF = "compute_temp_ramp.html">temp/ramp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "compute_temp_region.html">temp/region</A></TD><TD ><A HREF = "compute_temp_sphere.html">temp/sphere</A>
<TR ALIGN="center"><TD ><A HREF = "compute_temp_asphere.html">temp/asphere</A></TD><TD ><A HREF = "compute_temp_com.html">temp/com</A></TD><TD ><A HREF = "compute_temp_deform.html">temp/deform</A></TD><TD ><A HREF = "compute_temp_partial.html">temp/partial</A></TD><TD ><A HREF = "compute_temp_ramp.html">temp/ramp</A></TD><TD ><A HREF = "compute_temp_region.html">temp/region</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "compute_temp_sphere.html">temp/sphere</A>
</TD></TR></TABLE></DIV>
<P>These are compute styles contributed by users, which can be used if

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doc/compute_erotate_sphere.html
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@ -9,34 +9,43 @@
<HR>
<H3>compute rotate/dipole command
<H3>compute erotate/sphere command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>compute ID group-ID rotate/dipole
<PRE>compute ID group-ID erotate/sphere
</PRE>
<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
<LI>rotate/dipole = style name of this compute command
<LI>erotate/sphere = style name of this compute command
</UL>
<P><B>Examples:</B>
</P>
<PRE>compute 1 all rotate/dipole
<PRE>compute 1 all erotate/sphere
</PRE>
<P><B>Description:</B>
</P>
<P>Define a computation that calculates the total rotational energy of a
group of atoms with point dipole moments.
<P>Define a computation that calculates the rotational kinetic energy of
a group of spherical particles.
</P>
<P>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.
<P>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.
</P>
<P>IMPORTANT NOTE: For <A HREF = "dimension.html">2d models</A>, particles are treated
as spheres, not disks, meaning their moment of inertia will be the
same as in 3d.
</P>
<P><B>Output info:</B>
</P>
<P>The scalar value calculated by this compute is "extensive", meaning it
it scales with the number of atoms in the simulation.
</P>
<P><B>Restrictions:</B> none
<P><B>Restrictions:</B>
</P>
<P>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
<A HREF = "shape.html">shape</A> command or by each particle being assigned an
individual radius, e.g. for <A HREF = "atom_style.html">atom_style granular</A>.
</P>
<P><B>Related commands:</B> none
</P>

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doc/compute_erotate_sphere.txt
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@ -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

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doc/compute_temp_asphere.html
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@ -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.
</P>
<P>IMPORTANT NOTE: Fo <A HREF = "dimension.html">2d models</A>, particles are treated
<P>IMPORTANT NOTE: For <A HREF = "dimension.html">2d models</A>, particles are treated
as ellipsoids, not ellipses, meaning their moments of inertia will be
the same as in 3d.
</P>

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doc/compute_temp_asphere.txt
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@ -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.

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doc/compute_temp_sphere.html
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@ -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.
</P>
<P>IMPORTANT NOTE: Fo <A HREF = "dimension.html">2d models</A>, particles are treated
<P>IMPORTANT NOTE: For <A HREF = "dimension.html">2d models</A>, particles are treated
as spheres, not disks, meaning their moment of inertia will be the
same as in 3d.
</P>

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doc/compute_temp_sphere.txt
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@ -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.