Commit 12cba76c authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1611 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 8f133431

doc/Section_commands.html

+8 −9
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@@ -320,11 +320,10 @@ of each style or click on the style itself for a full description: 
<TR ALIGN="center"><TD ><A HREF = "fix_addforce.html">addforce</A></TD><TD ><A HREF = "fix_aveforce.html">aveforce</A></TD><TD ><A HREF = "fix_ave_atom.html">ave/atom</A></TD><TD ><A HREF = "fix_ave_spatial.html">ave/spatial</A></TD><TD ><A HREF = "fix_ave_time.html">ave/time</A></TD><TD ><A HREF = "fix_com.html">com</A></TD><TD ><A HREF = "fix_coord_original.html">coord/original</A></TD><TD ><A HREF = "fix_deform.html">deform</A></TD></TR>

<TR ALIGN="center"><TD ><A HREF = "fix_deposit.html">deposit</A></TD><TD ><A HREF = "fix_drag.html">drag</A></TD><TD ><A HREF = "fix_dt_reset.html">dt/reset</A></TD><TD ><A HREF = "fix_efield.html">efield</A></TD><TD ><A HREF = "fix_enforce2d.html">enforce2d</A></TD><TD ><A HREF = "fix_freeze.html">freeze</A></TD><TD ><A HREF = "fix_gravity.html">gravity</A></TD><TD ><A HREF = "fix_gyration.html">gyration</A></TD></TR>

<TR ALIGN="center"><TD ><A HREF = "fix_heat.html">heat</A></TD><TD ><A HREF = "fix_indent.html">indent</A></TD><TD ><A HREF = "fix_langevin.html">langevin</A></TD><TD ><A HREF = "fix_lineforce.html">lineforce</A></TD><TD ><A HREF = "fix_msd.html">msd</A></TD><TD ><A HREF = "fix_momentum.html">momentum</A></TD><TD ><A HREF = "fix_nph.html">nph</A></TD><TD ><A HREF = "fix_npt.html">npt</A></TD></TR>

<TR ALIGN="center"><TD ><A HREF = "fix_npt_asphere.html">npt/asphere</A></TD><TD ><A HREF = "fix_nve.html">nve</A></TD><TD ><A HREF = "fix_nve_asphere.html">nve/asphere</A></TD><TD ><A HREF = "fix_nve_dipole.html">nve/dipole</A></TD><TD ><A HREF = "fix_nve_gran.html">nve/gran</A></TD><TD ><A HREF = "fix_nve_limit.html">nve/limit</A></TD><TD ><A HREF = "fix_nve_noforce.html">nve/noforce</A></TD><TD ><A HREF = "fix_nvt.html">nvt</A></TD></TR>

<TR ALIGN="center"><TD ><A HREF = "fix_nvt_asphere.html">nvt/asphere</A></TD><TD ><A HREF = "fix_nvt_sllod.html">nvt/sllod</A></TD><TD ><A HREF = "fix_orient_fcc.html">orient/fcc</A></TD><TD ><A HREF = "fix_planeforce.html">planeforce</A></TD><TD ><A HREF = "fix_poems.html">poems</A></TD><TD ><A HREF = "fix_pour.html">pour</A></TD><TD ><A HREF = "fix_print.html">print</A></TD><TD ><A HREF = "fix_rdf.html">rdf</A></TD></TR>

<TR ALIGN="center"><TD ><A HREF = "fix_recenter.html">recenter</A></TD><TD ><A HREF = "fix_rigid.html">rigid</A></TD><TD ><A HREF = "fix_setforce.html">setforce</A></TD><TD ><A HREF = "fix_shake.html">shake</A></TD><TD ><A HREF = "fix_spring.html">spring</A></TD><TD ><A HREF = "fix_spring_rg.html">spring/rg</A></TD><TD ><A HREF = "fix_spring_self.html">spring/self</A></TD><TD ><A HREF = "fix_temp_berendsen.html">temp/berendsen</A></TD></TR>

<TR ALIGN="center"><TD ><A HREF = "fix_temp_rescale.html">temp/rescale</A></TD><TD ><A HREF = "fix_tmd.html">tmd</A></TD><TD ><A HREF = "fix_viscosity.html">viscosity</A></TD><TD ><A HREF = "fix_viscous.html">viscous</A></TD><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD><TD ><A HREF = "fix_wall_lj126.html">wall/lj126</A></TD><TD ><A HREF = "fix_wall_lj93.html">wall/lj93</A></TD><TD ><A HREF = "fix_wall_reflect.html">wall/reflect</A></TD></TR>

<TR ALIGN="center"><TD ><A HREF = "fix_wiggle.html">wiggle</A> 

<TR ALIGN="center"><TD ><A HREF = "fix_npt_asphere.html">npt/asphere</A></TD><TD ><A HREF = "fix_nve.html">nve</A></TD><TD ><A HREF = "fix_nve_asphere.html">nve/asphere</A></TD><TD ><A HREF = "fix_nve_limit.html">nve/limit</A></TD><TD ><A HREF = "fix_nve_noforce.html">nve/noforce</A></TD><TD ><A HREF = "fix_nve_sphere.html">nve/sphere</A></TD><TD ><A HREF = "fix_nvt.html">nvt</A></TD><TD ><A HREF = "fix_nvt_asphere.html">nvt/asphere</A></TD></TR>

<TR ALIGN="center"><TD ><A HREF = "fix_nvt_sllod.html">nvt/sllod</A></TD><TD ><A HREF = "fix_orient_fcc.html">orient/fcc</A></TD><TD ><A HREF = "fix_planeforce.html">planeforce</A></TD><TD ><A HREF = "fix_poems.html">poems</A></TD><TD ><A HREF = "fix_pour.html">pour</A></TD><TD ><A HREF = "fix_print.html">print</A></TD><TD ><A HREF = "fix_rdf.html">rdf</A></TD><TD ><A HREF = "fix_recenter.html">recenter</A></TD></TR>

<TR ALIGN="center"><TD ><A HREF = "fix_rigid.html">rigid</A></TD><TD ><A HREF = "fix_setforce.html">setforce</A></TD><TD ><A HREF = "fix_shake.html">shake</A></TD><TD ><A HREF = "fix_spring.html">spring</A></TD><TD ><A HREF = "fix_spring_rg.html">spring/rg</A></TD><TD ><A HREF = "fix_spring_self.html">spring/self</A></TD><TD ><A HREF = "fix_temp_berendsen.html">temp/berendsen</A></TD><TD ><A HREF = "fix_temp_rescale.html">temp/rescale</A></TD></TR>

<TR ALIGN="center"><TD ><A HREF = "fix_tmd.html">tmd</A></TD><TD ><A HREF = "fix_viscosity.html">viscosity</A></TD><TD ><A HREF = "fix_viscous.html">viscous</A></TD><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD><TD ><A HREF = "fix_wall_lj126.html">wall/lj126</A></TD><TD ><A HREF = "fix_wall_lj93.html">wall/lj93</A></TD><TD ><A HREF = "fix_wall_reflect.html">wall/reflect</A></TD><TD ><A HREF = "fix_wiggle.html">wiggle</A> 

</TD></TR></TABLE></DIV>



<HR>
@@ -334,10 +333,10 @@ descriptions of each style or click on the style itself for a full 
description:

</P>

<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_group_group.html">group/group</A></TD><TD ><A HREF = "compute_ke_atom.html">ke/atom</A></TD><TD ><A HREF = "compute_pe.html">pe</A></TD></TR>

<TR ALIGN="center"><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_rotate_dipole.html">rotate/dipole</A></TD><TD ><A HREF = "compute_rotate_gran.html">rotate/gran</A></TD><TD ><A HREF = "compute_stress_atom.html">stress/atom</A></TD></TR>

<TR ALIGN="center"><TD ><A HREF = "compute_temp.html">temp</A></TD><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></TR>

<TR ALIGN="center"><TD ><A HREF = "compute_temp_ramp.html">temp/ramp</A></TD><TD ><A HREF = "compute_temp_region.html">temp/region</A> 

<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> 

</TD></TR></TABLE></DIV>



<P>These are compute styles contributed by users, which can be used if

doc/Section_commands.txt

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@@ -402,10 +402,9 @@ of each style or click on the style itself for a full description: 
"npt/asphere"_fix_npt_asphere.html,

"nve"_fix_nve.html,

"nve/asphere"_fix_nve_asphere.html,

"nve/dipole"_fix_nve_dipole.html,

"nve/gran"_fix_nve_gran.html,

"nve/limit"_fix_nve_limit.html,

"nve/noforce"_fix_nve_noforce.html,

"nve/sphere"_fix_nve_sphere.html,

"nvt"_fix_nvt.html,

"nvt/asphere"_fix_nvt_asphere.html,

"nvt/sllod"_fix_nvt_sllod.html,
@@ -442,14 +441,13 @@ description: 
"centro/atom"_compute_centro_atom.html,

"coord/atom"_compute_coord_atom.html,

"displace/atom"_compute_displace_atom.html,

"erotate/sphere"_compute_erotate_sphere.html,

"group/group"_compute_group_group.html,

"ke/atom"_compute_ke_atom.html,

"pe"_compute_pe.html,

"pe/atom"_compute_pe_atom.html,

"pressure"_compute_pressure.html,

"reduce"_compute_reduce.html,

"rotate/dipole"_compute_rotate_dipole.html,

"rotate/gran"_compute_rotate_gran.html,

"stress/atom"_compute_stress_atom.html,

"temp"_compute_temp.html,

"temp/asphere"_compute_temp_asphere.html,
@@ -458,7 +456,8 @@ description: 
"temp/dipole"_compute_temp_dipole.html,

"temp/partial"_compute_temp_partial.html,

"temp/ramp"_compute_temp_ramp.html,

"temp/region"_compute_temp_region.html :tb(c=6,ea=c)

"temp/region"_compute_temp_region.html,

"temp/sphere"_compute_temp_sphere.html :tb(c=6,ea=c)



These are compute styles contributed by users, which can be used if

"LAMMPS is built with the appropriate package"_Section_start.html#2_3.

doc/compute.html

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@@ -112,14 +112,13 @@ available in LAMMPS: 
<UL><LI><A HREF = "compute_centro_atom.html">centro/atom</A> - centro-symmetry parameter for each atom

<LI><A HREF = "compute_coord_atom.html">coord/atom</A> - coordination number for each atom

<LI><A HREF = "compute_displace_atom.html">displace/atom</A> - displacement of each atom

<LI><A HREF = "compute_erotate_sphere.html">erotate/sphere</A> - rotational energy of spherical particles

<LI><A HREF = "compute_group_group.html">group/group</A> - energy/force between two groups of atoms

<LI><A HREF = "compute_ke_atom.html">ke/atom</A> - kinetic energy for each atom

<LI><A HREF = "compute_pe.html">pe</A> - potential energy

<LI><A HREF = "compute_pe_atom.html">pe/atom</A> - potential energy for each atom

<LI><A HREF = "compute_pressure.html">pressure</A> - total pressure and pressure tensor

<LI><A HREF = "compute_reduce.html">reduce</A> - combine per-atom quantities into a single global value

<LI><A HREF = "compute_rotate_dipole.html">rotate/dipole</A> - rotational energy of dipolar atoms

<LI><A HREF = "compute_rotate_gran.html">rotate/gran</A> - rotational energy of granular atoms

<LI><A HREF = "compute_stress_atom.html">stress/atom</A> - stress tensor for each atom

<LI><A HREF = "compute_temp.html">temp</A> - temperature of group of atoms

<LI><A HREF = "compute_temp_asphere.html">temp/asphere</A> - temperature of aspherical particles
@@ -129,6 +128,7 @@ available in LAMMPS: 
<LI><A HREF = "compute_temp_partial.html">temp/partial</A> - temperature excluding one or more dimensions of velocity

<LI><A HREF = "compute_temp_ramp.html">temp/ramp</A> - temperature excluding ramped velocity component

<LI><A HREF = "compute_temp_region.html">temp/region</A> - temperature of a region of atoms

<LI><A HREF = "compute_temp_sphere.html">temp/sphere</A> - temperature of spherical particles 

</UL>

<P>There are also additional compute styles submitted by users which are

included in the LAMMPS distribution.  The list of these with links to

doc/compute.txt

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@@ -109,14 +109,13 @@ available in LAMMPS: 
"centro/atom"_compute_centro_atom.html - centro-symmetry parameter for each atom

"coord/atom"_compute_coord_atom.html - coordination number for each atom

"displace/atom"_compute_displace_atom.html - displacement of each atom

"erotate/sphere"_compute_erotate_sphere.html - rotational energy of spherical particles

"group/group"_compute_group_group.html - energy/force between two groups of atoms

"ke/atom"_compute_ke_atom.html - kinetic energy for each atom

"pe"_compute_pe.html - potential energy

"pe/atom"_compute_pe_atom.html - potential energy for each atom

"pressure"_compute_pressure.html - total pressure and pressure tensor

"reduce"_compute_reduce.html - combine per-atom quantities into a single global value

"rotate/dipole"_compute_rotate_dipole.html - rotational energy of dipolar atoms

"rotate/gran"_compute_rotate_gran.html - rotational energy of granular atoms

"stress/atom"_compute_stress_atom.html - stress tensor for each atom

"temp"_compute_temp.html - temperature of group of atoms

"temp/asphere"_compute_temp_asphere.html - temperature of aspherical particles
@@ -125,7 +124,8 @@ available in LAMMPS: 
"temp/dipole"_compute_temp_dipole.html - temperature of point dipolar particles

"temp/partial"_compute_temp_partial.html - temperature excluding one or more dimensions of velocity

"temp/ramp"_compute_temp_ramp.html - temperature excluding ramped velocity component

"temp/region"_compute_temp_region.html - temperature of a region of atoms :ul

"temp/region"_compute_temp_region.html - temperature of a region of atoms

"temp/sphere"_compute_temp_sphere.html - temperature of spherical particles :ul



There are also additional compute styles submitted by users which are

included in the LAMMPS distribution.  The list of these with links to

doc/compute_rotate_dipole.html

deleted100644 → 0
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<HTML>

<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A> 

</CENTER>













<HR>



<H3>compute rotate/dipole command 

</H3>

<P><B>Syntax:</B>

</P>

<PRE>compute ID group-ID rotate/dipole 

</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 

</UL>

<P><B>Examples:</B>

</P>

<PRE>compute 1 all rotate/dipole 

</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>

<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>

<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>

<P><B>Related commands:</B> none

</P>

<P><B>Default:</B> none

</P>

</HTML>

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