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