Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F106788420
fix_nve_sphere.html
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Mon, Mar 31, 15:59
Size
2 KB
Mime Type
text/html
Expires
Wed, Apr 2, 15:59 (2 d)
Engine
blob
Format
Raw Data
Handle
25274903
Attached To
rLAMMPS lammps
fix_nve_sphere.html
View Options
<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/sphere command
</H3>
<P><B>
Syntax:
</B>
</P>
<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/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/sphere
fix 1 all nve/sphere update dipole
</PRE>
<P><B>
Description:
</B>
</P>
<P>
Perform constant NVE integration to update position, velocity, and
angular velocity for extended 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>
<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#4_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 requires that atoms store torque and angular velocity (omega)
as defined by the
<A
HREF =
"atom_style.html"
>
atom_style
</A>
. It also require they
store either a per-particle diameter or per-type
<A
HREF =
"shape.html"
>
shape
</A>
. If
the
<I>
dipole
</I>
keyword is used, then they must store a dipole moment.
</P>
<P>
All particles in the group must be finite-size spheres. They cannot
be point particles, nor can they be aspherical.
</P>
<P><B>
Related commands:
</B>
</P>
<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>
</HTML>
Event Timeline
Log In to Comment