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 class2 command :h3
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[Syntax:]
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bond_style class2 :pre
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[Examples:]
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bond_style class2
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bond_coeff 1 1.0 100.0 80.0 80.0 :pre
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[Description:]
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The {class2} bond style uses the potential
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:c,image(Eqs/bond_class2.jpg)
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where r0 is the equilibrium bond distance.
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2006-09-28 03:12:31 +08:00
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See "(Sun)"_#Sun for a description of the COMPASS class2 force field.
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2006-09-22 00:22:34 +08:00
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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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R0 (distance)
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K2 (energy/distance^2)
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K3 (energy/distance^2)
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K4 (energy/distance^2) :ul
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[Restrictions:]
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2007-06-25 23:17:40 +08:00
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This bond style is part of the "class2" package. It is only enabled
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if LAMMPS was built with that package. See the "Making
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LAMMPS"_Section_start.html#2_2 section for more info.
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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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2006-09-28 03:12:31 +08:00
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:line
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:link(Sun)
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[(Sun)] Sun, J Phys Chem B 102, 7338-7364 (1998).
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