2006-09-22 00:22:34 +08:00
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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 yukawa command :h3
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[Syntax:]
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pair_style yukawa kappa cutoff :pre
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kappa = screening length (inverse distance units)
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cutoff = global cutoff for Yukawa interactions (distance units) :ul
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[Examples:]
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pair_style yukawa 2.0 2.5
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pair_coeff 1 1 100.0 2.3
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pair_coeff * * 100.0 :pre
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[Description:]
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Style {yukawa} computes pairwise interactions with the formula
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:c,image(Eqs/pair_yukawa.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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2007-06-26 08:03:39 +08:00
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commands, or by mixing as described below:
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2006-09-22 00:22:34 +08:00
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A (energy units)
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cutoff (distance units) :ul
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The last coefficient is optional. If not specified, the global yukawa
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cutoff is used.
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2007-06-26 08:03:39 +08:00
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:line
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[Mixing, shift, table, tail correction, per-atom energy/stress, and
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restart info]:
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For atom type pairs I,J and I != J, the A coefficient and cutoff
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distance for this pair style can be mixed. A is an energy value mixed
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like a LJ epsilon. The default mix value is {geometric}. See the
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"pair_modify" command for details.
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This pair style supports the "pair_modify"_pair_modify.html shift
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option for the energy of the pair interaction.
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The "pair_modify"_pair_modify.html table option is not relevant
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for this pair style.
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This pair style does not support the "pair_modify"_pair_modify.html
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tail option for adding long-range tail corrections to energy and
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pressure.
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This pair style can calculate per-atom energy and stress, as used by
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the "compute epair/atom"_compute_epair_atom.html, "compute
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stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html
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commands.
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This pair style writes its information to "binary restart
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files"_restart.html, so pair_style and pair_coeff commands do not need
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to be specified in an input script that reads a restart file.
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:line
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2006-09-22 00:22:34 +08:00
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[Restrictions:] none
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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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