Page MenuHomec4science
Files F91886207

dipole.html
No OneTemporary
Actions

File Metadata

Created
Fri, Nov 15, 11:37

dipole.html
View Options

<HTML>
<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>
</CENTER>
<HR>
<H3>dipole command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>dipole I value
</PRE>
<UL><LI>I = atom type (see asterisk form below)
<LI>value = dipole moment (dipole units)
</UL>
<P><B>Examples:</B>
</P>
<PRE>dipole 1 1.0
dipole 3 2.0
dipole 3*5 0.0
</PRE>
<P><B>Description:</B>
</P>
<P>Set the dipole moment for all atoms of one or more atom types. This
command is only used for atom styles that require dipole moments
(<A HREF = "atom_style.html">atom_style</A> dipole). A value of 0.0 should be used
if the atom type has no dipole moment. Dipole values can also be set
in the <A HREF = "read_data.html">read_data</A> data file. See the
<A HREF = "units.html">units</A> command for a discussion of dipole units.
</P>
<P>Currently, only <A HREF = "atom_style.html">atom_style dipole</A> requires dipole
moments be set.
</P>
<P>I can be specified in one of two ways. An explicit numeric value can
be used, as in the 1st example above. Or a wild-card asterisk can be
used to set the dipole moment for multiple atom types. This takes the
form "*" or "*n" or "n*" or "m*n". If N = the number of atom types,
then an asterisk with no numeric values means all types from 1 to N. A
leading asterisk means all types from 1 to n (inclusive). A trailing
asterisk means all types from n to N (inclusive). A middle asterisk
means all types from m to n (inclusive).
</P>
<P>A line in a data file that specifies a dipole moment uses the same
format as the arguments of the dipole command in an input script,
except that no wild-card asterisk can be used. For example, under the
"Dipoles" section of a data file, the line that corresponds to the 1st
example above would be listed as
</P>
<PRE>1 1.0
</PRE>
<P><B>Restrictions:</B>
</P>
<P>This command must come after the simulation box is defined by a
<A HREF = "read_data.html">read_data</A>, <A HREF = "read_restart.html">read_restart</A>, or
<A HREF = "create_box.html">create_box</A> command.
</P>
<P>All dipoles moments must be defined before a simulation is run (if the
atom style requires dipoles be set). They must also all be defined
before a <A HREF = "set.html">set dipole</A> or <A HREF = "set.html">set dipole/random</A> command
is used.
</P>
<P><B>Related commands:</B> none
</P>
<P><B>Default:</B> none
</P>
</HTML>

Event Timeline

c4science · Help