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fix_nve_asphere.html
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Wed, Nov 27, 06:37
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Fri, Nov 29, 06:37 (2 d)
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rLAMMPS lammps
fix_nve_asphere.html
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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>
fix nve/asphere command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
fix ID group-ID nve/asphere
</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
</UL>
<P><B>
Examples:
</B>
</P>
<PRE>
fix 1 all nve/asphere
</PRE>
<P><B>
Description:
</B>
</P>
<P>
Perform constant NVE integration to update position, velocity,
orientation, and 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>
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><B>
Restart, fix_modify, output, run start/stop, minimize info:
</B>
</P>
<P>
No information about this fix is written to
<A
HREF =
"restart.html"
>
binary restart
files
</A>
. None of the
<A
HREF =
"fix_modify.html"
>
fix_modify
</A>
options
are relevant to this fix. No global or per-atom quantities are stored
by this fix for access by various
<A
HREF =
"Section_howto.html#howto_15"
>
output
commands
</A>
. No parameter of this fix can
be used with the
<I>
start/stop
</I>
keywords of the
<A
HREF =
"run.html"
>
run
</A>
command.
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#start_3"
>
Making
LAMMPS
</A>
section for more info.
</P>
<P>
This fix requires that atoms store torque and angular momementum and a
quaternion as defined by the
<A
HREF =
"atom_style.html"
>
atom_style ellipsoid
</A>
command.
</P>
<P>
All particles in the group must be finite-size. They cannot be point
particles, but they can be aspherical or spherical as defined by their
shape attribute.
</P>
<P><B>
Related commands:
</B>
</P>
<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>
</HTML>
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