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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bond_style harmonic command :h3
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2011-12-01 23:35:32 +08:00
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bond_style harmonic/omp command :h3
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2006-09-22 00:22:34 +08:00
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[Syntax:]
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bond_style harmonic :pre
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[Examples:]
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bond_style harmonic
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bond_coeff 5 80.0 1.2 :pre
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[Description:]
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The {harmonic} bond style uses the potential
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:c,image(Eqs/bond_harmonic.jpg)
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where r0 is the equilibrium bond distance. Note that the usual 1/2
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factor is included in K.
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The following coefficients must be defined for each bond type via the
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"bond_coeff"_bond_coeff.html command as in the example above, or in
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the data file or restart files read by the "read_data"_read_data.html
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or "read_restart"_read_restart.html commands:
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K (energy/distance^2)
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r0 (distance) :ul
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2011-12-01 23:35:32 +08:00
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:line
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2014-08-15 00:30:25 +08:00
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Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
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functionally the same as the corresponding style without the suffix.
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They have been optimized to run faster, depending on your available
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hardware, as discussed in "Section_accelerate"_Section_accelerate.html
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of the manual. The accelerated styles take the same arguments and
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should produce the same results, except for round-off and precision
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issues.
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These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
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KOKKOS, USER-OMP and OPT packages, respectively. They are only
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enabled if LAMMPS was built with those packages. See the "Making
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LAMMPS"_Section_start.html#start_3 section for more info.
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2011-12-01 23:35:32 +08:00
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You can specify the accelerated styles explicitly in your input script
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by including their suffix, or you can use the "-suffix command-line
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2012-01-28 07:39:14 +08:00
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switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
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2011-12-01 23:35:32 +08:00
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use the "suffix"_suffix.html command in your input script.
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2011-12-14 04:35:35 +08:00
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See "Section_accelerate"_Section_accelerate.html of the manual for
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more instructions on how to use the accelerated styles effectively.
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2011-12-01 23:35:32 +08:00
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:line
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2007-06-26 08:03:39 +08:00
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[Restrictions:]
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This bond style can only be used if LAMMPS was built with the
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2015-02-26 05:42:32 +08:00
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MOLECULE package (which it is by default). See the "Making
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2011-08-26 00:46:23 +08:00
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LAMMPS"_Section_start.html#start_3 section for more info on packages.
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2006-09-22 00:22:34 +08:00
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[Related commands:]
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"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
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[Default:] none
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