2015-07-30 22:38:28 +08:00
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<HTML>
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<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>
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</CENTER>
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2007-04-20 07:25:27 +08:00
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2015-07-30 22:38:28 +08:00
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<HR>
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2007-04-20 07:25:27 +08:00
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2015-07-30 22:38:28 +08:00
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<H3>fix nve/asphere command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>fix ID group-ID nve/asphere
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</PRE>
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<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
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<LI>nve/asphere = style name of this fix command
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>fix 1 all nve/asphere
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Perform constant NVE integration to update position, velocity,
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2008-03-20 06:51:12 +08:00
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orientation, and angular velocity for aspherical particles in the
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group each timestep. V is volume; E is energy. This creates a system
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2015-07-30 22:38:28 +08:00
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trajectory consistent with the microcanonical ensemble.
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</P>
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<P>This fix differs from the <A HREF = "fix_nve.html">fix nve</A> command, which
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assumes point particles and only updates their position and velocity.
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</P>
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<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
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</P>
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<P>No information about this fix is written to <A HREF = "restart.html">binary restart
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files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
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2010-04-03 00:51:06 +08:00
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are relevant to this fix. No global or per-atom quantities are stored
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2015-07-30 22:38:28 +08:00
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by this fix for access by various <A HREF = "Section_howto.html#howto_15">output
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commands</A>. No parameter of this fix can
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be used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
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This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
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</P>
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<P><B>Restrictions:</B>
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</P>
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<P>This fix is part of the ASPHERE package. It is only enabled if LAMMPS
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was built with that package. See the <A HREF = "Section_start.html#start_3">Making
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LAMMPS</A> section for more info.
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</P>
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<P>This fix requires that atoms store torque and angular momementum and a
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quaternion as defined by the <A HREF = "atom_style.html">atom_style ellipsoid</A>
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command.
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</P>
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<P>All particles in the group must be finite-size. They cannot be point
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2011-04-14 05:39:34 +08:00
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particles, but they can be aspherical or spherical as defined by their
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2015-07-30 22:38:28 +08:00
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shape attribute.
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</P>
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<P><B>Related commands:</B>
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</P>
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<P><A HREF = "fix_nve.html">fix nve</A>, <A HREF = "fix_nve_sphere.html">fix nve/sphere</A>
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</P>
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<P><B>Default:</B> none
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</P>
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</HTML>
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