2006-09-22 00:22:34 +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>dipole command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>dipole I value
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</PRE>
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2006-09-29 04:54:07 +08:00
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<UL><LI>I = atom type (see asterisk form below)
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2007-06-20 20:56:17 +08:00
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<LI>value = dipole moment (dipole units)
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2006-09-22 00:22:34 +08:00
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>dipole 1 1.0
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dipole 3 2.0
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dipole 3*5 0.0
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Set the dipole moment for all atoms of one or more atom types. This
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command is only used for atom styles that require dipole moments
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(<A HREF = "atom_style.html">atom_style</A> dipole). A value of 0.0 should be used
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if the atom type has no dipole moment. Dipole values can also be set
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in the <A HREF = "read_data.html">read_data</A> data file. See the
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<A HREF = "units.html">units</A> command for a discussion of dipole units.
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</P>
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2007-06-20 20:56:17 +08:00
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<P>Currently, only <A HREF = "atom_style.html">atom_style dipole</A> requires dipole
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moments be set.
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</P>
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2006-09-22 00:22:34 +08:00
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<P>I can be specified in one of two ways. An explicit numeric value can
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be used, as in the 1st example above. Or a wild-card asterisk can be
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used to set the dipole moment for multiple atom types. This takes the
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form "*" or "*n" or "n*" or "m*n". If N = the number of atom types,
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2006-09-29 04:54:07 +08:00
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then an asterisk with no numeric values means all types from 1 to N. A
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leading asterisk means all types from 1 to n (inclusive). A trailing
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asterisk means all types from n to N (inclusive). A middle asterisk
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2006-09-22 00:22:34 +08:00
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means all types from m to n (inclusive).
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</P>
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2007-06-20 20:56:17 +08:00
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<P>A line in a data file that specifies a dipole moment uses the same
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format as the arguments of the dipole command in an input script,
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except that no wild-card asterisk can be used. For example, under the
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"Dipoles" section of a data file, the line that corresponds to the 1st
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example above would be listed as
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</P>
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<PRE>1 1.0
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</PRE>
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<P><B>Restrictions:</B>
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</P>
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<P>This command must come after the simulation box is defined by a
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<A HREF = "read_data.html">read_data</A>, <A HREF = "read_restart.html">read_restart</A>, or
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<A HREF = "create_box.html">create_box</A> command.
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</P>
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<P>All dipoles moments must be defined before a simulation is run (if the
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2007-06-20 20:56:17 +08:00
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atom style requires dipoles be set). They must also all be defined
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before a <A HREF = "set.html">set dipole</A> or <A HREF = "set.html">set dipole/random</A> command
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is used.
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2006-09-22 00:22:34 +08:00
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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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