Commit b8f25bd2 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1617 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent fab023a2

doc/fix_nve_asphere.html

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@@ -25,9 +25,9 @@ 
<P><B>Description:</B>

</P>

<P>Perform constant NVE updates of position, velocity, orientation, and

angular velocity for aspherical or ellipsoidal particles in the group

each timestep.  V is volume; E is energy.  This creates a system

trajectory consistent with the microcanonical ensemble.

angular velocity for aspherical particles in the group each timestep.

V is volume; E is energy.  This creates a system trajectory consistent

with the microcanonical ensemble.

</P>

<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>

</P>
@@ -45,9 +45,14 @@ This fix is not invoked during <A HREF = "minimize.html">energy minimization</A> 
LAMMPS was built with that package.  See the <A HREF = "Section_start.html#2_3">Making

LAMMPS</A> section for more info.

</P>

<P>This fix requires that particles be represented as extended ellipsoids

and not point particles.  This means they will have an angular

momentum and a shape which is determined by the <A HREF = "shape.html">shape</A>

command.

</P>

<P><B>Related commands:</B>

</P>

<P><A HREF = "fix_nve.html">fix nve</A>

<P><A HREF = "fix_nve.html">fix nve</A>, <A HREF = "fix_nve_sphere.html">fix nve/sphere</A>

</P>

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

</P>

doc/fix_nve_asphere.txt

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@@ -22,9 +22,9 @@ fix 1 all nve/asphere :pre 
[Description:]



Perform constant NVE updates of position, velocity, orientation, and

angular velocity for aspherical or ellipsoidal particles in the group

each timestep.  V is volume; E is energy.  This creates a system

trajectory consistent with the microcanonical ensemble.

angular velocity for aspherical particles in the group each timestep.

V is volume; E is energy.  This creates a system trajectory consistent

with the microcanonical ensemble.



[Restart, fix_modify, output, run start/stop, minimize info:]
@@ -42,8 +42,13 @@ This fix is part of the "asphere" package. It is only enabled if 
LAMMPS was built with that package.  See the "Making

LAMMPS"_Section_start.html#2_3 section for more info.



This fix requires that particles be represented as extended ellipsoids

and not point particles.  This means they will have an angular

momentum and a shape which is determined by the "shape"_shape.html

command.



[Related commands:]



"fix nve"_fix_nve.html

"fix nve"_fix_nve.html, "fix nve/sphere"_fix_nve_sphere.html



[Default:] none

doc/fix_nve_sphere.html

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@@ -9,25 +9,45 @@ 


<HR>



<H3>fix nve/asphere command 

<H3>fix nve/sphere command 

</H3>

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

</P>

<PRE>fix ID group-ID nve/asphere 

<PRE>fix ID group-ID nve/sphere 

</PRE>

<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command 

<LI>nve/asphere = style name of this fix command 



<LI>nve/sphere = style name of this fix command 



<LI>zero or more keyword/value pairs may be appended 



<LI>keyword = <I>update</I> 



<PRE>  <I>update</I> value = <I>dipole</I>

    dipole = update orientation of dipole moment during integration 

</PRE>



</UL>

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

</P>

<PRE>fix 1 all nve/asphere 

<PRE>fix 1 all nve/sphere

fix 1 all nve/sphere update dipole 

</PRE>

<P><B>Description:</B>

</P>

<P>Perform constant NVE updates of position, velocity, orientation, and

angular velocity for aspherical or ellipsoidal particles in the group

each timestep.  V is volume; E is energy.  This creates a system

trajectory consistent with the microcanonical ensemble.

<P>Perform constant NVE updates of position, velocity, and angular

velocity for spherical particles in the group each timestep.  V is

volume; E is energy.  This creates a system trajectory consistent with

the microcanonical ensemble.

</P>

<P>This fix differs from the <A HREF = "fix_nve.html">fix nve</A> command, which

assumes point particles and only updates their position and velocity.

</P>

<P>If the <I>update</I> keyword is used with the <I>dipole</I> value, then the

orientation of the dipole moment of each particle is also updated

during the time integration.  This option should be used for models

where a dipole moment is assigned to particles via the

<A HREF = "dipole.html">dipole</A> command.

</P>

<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>

</P>
@@ -41,13 +61,15 @@ This fix is not invoked during <A HREF = "minimize.html">energy minimization</A> 
</P>

<P><B>Restrictions:</B> 

</P>

<P>This fix is part of the "asphere" package.  It is only enabled if

LAMMPS was built with that package.  See the <A HREF = "Section_start.html#2_3">Making

LAMMPS</A> section for more info.

<P>This fix 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>

</P>

<P><A HREF = "fix_nve.html">fix nve</A>

<P><A HREF = "fix_nve.html">fix nve</A>, <A HREF = "fix_nve_asphere.html">fix nve/asphere</A>

</P>

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

</P>

doc/fix_nve_sphere.txt

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@@ -6,25 +6,40 @@ 


:line



fix nve/asphere command :h3

fix nve/sphere command :h3



[Syntax:]



fix ID group-ID nve/asphere :pre

fix ID group-ID nve/sphere :pre



ID, group-ID are documented in "fix"_fix.html command

nve/asphere = style name of this fix command :ul

ID, group-ID are documented in "fix"_fix.html command :ulb,l

nve/sphere = style name of this fix command :l

zero or more keyword/value pairs may be appended :l

keyword = {update} :l

  {update} value = {dipole}

    dipole = update orientation of dipole moment during integration :pre

:ule



[Examples:]



fix 1 all nve/asphere :pre

fix 1 all nve/sphere

fix 1 all nve/sphere update dipole :pre



[Description:]



Perform constant NVE updates of position, velocity, orientation, and

angular velocity for aspherical or ellipsoidal particles in the group

each timestep.  V is volume; E is energy.  This creates a system

trajectory consistent with the microcanonical ensemble.

Perform constant NVE updates of position, velocity, and angular

velocity for spherical particles in the group each timestep.  V is

volume; E is energy.  This creates a system trajectory consistent with

the microcanonical ensemble.



This fix differs from the "fix nve"_fix_nve.html command, which

assumes point particles and only updates their position and velocity.



If the {update} keyword is used with the {dipole} value, then the

orientation of the dipole moment of each particle is also updated

during the time integration.  This option should be used for models

where a dipole moment is assigned to particles via the

"dipole"_dipole.html command.



[Restart, fix_modify, output, run start/stop, minimize info:]
@@ -38,12 +53,14 @@ This fix is not invoked during "energy minimization"_minimize.html. 


[Restrictions:] 



This fix is part of the "asphere" package.  It is only enabled if

LAMMPS was built with that package.  See the "Making

LAMMPS"_Section_start.html#2_3 section for more info.

This fix 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:]



"fix nve"_fix_nve.html

"fix nve"_fix_nve.html, "fix nve/asphere"_fix_nve_asphere.html



[Default:] none

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