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lammps/doc/dipole.txt
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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)
:line
dipole command :h3
[Syntax:]
dipole I value :pre
I = atom type (see asterisk form below)
value = dipole moment (dipole units) :ul
[Examples:]
dipole 1 1.0
dipole 3 2.0
dipole 3*5 0.0 :pre
[Description:]
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
("atom_style"_atom_style.html 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 "read_data"_read_data.html data file. See the
"units"_units.html command for a discussion of dipole units.
Currently, only "atom_style dipole"_atom_style.html requires dipole
moments be set.
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).
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
1 1.0 :pre
[Restrictions:]
This command must come after the simulation box is defined by a
"read_data"_read_data.html, "read_restart"_read_restart.html, or
"create_box"_create_box.html command.
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 "set dipole"_set.html or "set dipole/random"_set.html command
is used.
[Related commands:] none
[Default:] none
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