forked from lijiext/lammps
59 lines
1.7 KiB
HTML
59 lines
1.7 KiB
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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<HR>
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<H3>atom_modify command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>atom_modify keyword value ...
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</PRE>
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<UL><LI>one or more keyword/value pairs may be appended
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<LI>keyword = <I>map</I>
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<PRE> <I>map</I> value = <I>array</I> or <I>hash</I>
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</PRE>
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>atom_modify map hash
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Modify properties of the atom style selected within LAMMPS.
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</P>
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<P>The <I>map</I> keyword determines how atom ID lookup is done for molecular
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problems. Lookups are performed by bond (angle, etc) routines in
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LAMMPS to find the local atom index associated with a global atom ID.
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When the <I>array</I> value is used, each processor stores a lookup table
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of length N, where N is the total # of atoms in the system. This is
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the fastest method for most simulations, but a processor can run out
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of memory to store the table for very large simulations. The <I>hash</I>
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value uses a hash table to perform the lookups. This method can be
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slightly slower than the <I>array</I> method, but its memory cost is
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proportional to N/P on each processor, where P is the total number of
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processors running the simulation.
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</P>
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<P><B>Restrictions:</B>
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</P>
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<P>This command must be used before the simulation box is defined by a
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<A HREF = "read_data.html">read_data</A> or <A HREF = "create_box.html">create_box</A> command.
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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>
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</P>
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<P>By default, atomic (non-molecular) problems do not allocate maps.
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For molecular problems, the option default is map = array.
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</P>
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</HTML>
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