2010-09-02 03:53:20 +08:00
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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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<HR>
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<H3>fix nve/eff 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/eff
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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/eff = 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/eff
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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 and velocity for
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2010-09-02 04:40:15 +08:00
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nuclei and electrons in the group for the <A HREF = "pair_eff.html">electron force
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field</A> model. V is volume; E is energy. This creates a
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system trajectory consistent with the microcanonical ensemble.
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</P>
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<P>The operation of this fix is exactly like that described by the <A HREF = "fix_nve.html">fix
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nve</A> command, except that the radius and radial velocity
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of electrons are also updated.
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2010-09-02 03:53:20 +08:00
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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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are relevant to this fix. No global or per-atom quantities are stored
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by this fix for access by various <A HREF = "Section_howto.html#4_15">output
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commands</A>. No parameter of this fix can be
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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 "user-eff" package. It is only enabled if
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LAMMPS was built with that package. See the <A HREF = "Section_start.html#2_3">Making
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LAMMPS</A> section for more info.
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</P>
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<P><B>Related commands:</B>
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</P>
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2010-09-02 04:40:15 +08:00
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<P><A HREF = "fix_nve.html">fix nve</A>, <A HREF = "fix_nh_eff.html">fix nvt/eff</A>, <A HREF = "fix_nh_eff.html">fix
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npt/eff</A>
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2010-09-02 03:53:20 +08:00
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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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