forked from lijiext/lammps
62 lines
1.5 KiB
Plaintext
62 lines
1.5 KiB
Plaintext
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"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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pair_style dipole/cut command :h3
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[Syntax:]
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pair_style dipole/cut cutoff (cutoff2) :pre
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cutoff = global cutoff for LJ interactions (and Coulombic if only 1 arg) (distance units)
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cutoff2 = global cutoff for Coulombic and dipole interactions (optional) (distance units) :ul
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[Examples:]
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pair_style dipole/cut 2.5
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pair_style dipole/cut 2.5 5.0
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pair_coeff * * 100.0 2.0 1.5
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pair_coeff 1 1 100.0 2.0 1.5 3.0 :pre
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[Description:]
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Style {dipole/cut}
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The {dipole} styles are not yet implemented in LAMMPS. They will
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enable a point dipole and charge to be assigned to each atom and the
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resulting charge-dipole and dipole-dipole interactions to be computed.
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computes pairwise interactions with the formula
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:c,image(Eqs/pair_dipole.jpg)
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Rc is the cutoff.
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The following coefficients must be defined for each pair of atoms
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types via the "pair_coeff"_pair_coeff.html command as in the examples
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above, or in the data file or restart files read by the
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"read_data"_read_data.html or "read_restart"_read_restart.html
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commands:
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D0 (energy units)
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alpha (1/distance units)
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r0 (distance units)
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cutoff (distance units) :ul
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The last coefficient is optional. If not specified, the global morse
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cutoff is used.
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[Restrictions:] none
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Must use atom style dipole.
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[Related commands:]
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"pair_coeff"_pair_coeff.html
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[Default:] none
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