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 morse command :h3
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[Syntax:]
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bond_style morse :pre
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[Examples:]
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bond_style morse
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bond_coeff 5 1.0 2.0 1.2 :pre
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[Description:]
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The {morse} bond style uses the potential
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:c,image(Eqs/bond_morse.jpg)
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where r0 is the equilibrium bond distance, alpha is a stiffness
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parameter, and D determines the depth of the potential well.
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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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D (energy)
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alpha (inverse distance)
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r0 (distance) :ul
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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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"molecular" package (which it is by default). See the "Making
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LAMMPS"_Section_start.html#2_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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