forked from lijiext/lammps
67 lines
2.2 KiB
HTML
67 lines
2.2 KiB
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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>replicate command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>replicate nx ny nz
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</PRE>
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<UL><LI>nx,ny,nz = replication factors in each dimension
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>replicate 2 3 2
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Replicate the current simulation one or more times in each dimension.
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For example, replication factors of 2,2,2 will create a simulation
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with 8x as many atoms by doubling the simulation domain in each
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dimension. A replication factor of 1 in a dimension leaves the
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simulation domain unchanged.
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</P>
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<P>All properties of the atoms are replicated, including their
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velocities, which may or may not be desirable. New atom IDs (tags)
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are assigned to new atoms, as are molecule IDs. Bonds and other
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topology interactions are created between pairs of new atoms as well
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as between old and new atoms. This is done by using the image flag
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for each atom to "unwrap" it out of the periodic box before
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replicating it. This means that molecular bonds you specify in the
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orignal data file that span the periodic box should be between two
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atoms with image flags that differ by 1. This will allow them to be
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unwrapped appropriately.
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</P>
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<P>This command operates similar to the replicate tool in the tools
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sub-directory of the LAMMPS distribution which creates new data files
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from old ones.
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</P>
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<P><B>Restrictions:</B>
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</P>
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<P>A 2d simulation cannot be replicated in the z dimension.
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</P>
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<P>If a simulation is non-periodic in a dimension, care should be used
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when replicating it in that dimension, as it may put atoms nearly on
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top of each other.
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</P>
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<P>If the current simulation was read in from a restart file (before a
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run is performed), there can have been no fix information stored in
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the file for individual atoms. Similarly, no fixes can be defined at
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the time the replicate command is used that require vectors of atom
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information to be stored. This is because the replicate command does
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not know how to replicate that information for new atoms it creates.
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</P>
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<P><B>Related commands:</B> none
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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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