forked from lijiext/lammps
51 lines
1.1 KiB
Plaintext
51 lines
1.1 KiB
Plaintext
"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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improper_style cvff command :h3
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[Syntax:]
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improper_style cvff :pre
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[Examples:]
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improper_style cvff
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improper_coeff 1 80.0 -1 4 :pre
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[Description:]
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The {cvff} improper style uses the potential
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:c,image(Eqs/improper_cvff.jpg)
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where phi is the Wilson out-of-plane angle.
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The following coefficients must be defined for each improper type via the
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"improper_coeff"_improper_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)
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d (+1 or -1)
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n (0,1,2,3,4,6) :ul
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[Restrictions:]
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Improper styles can only be set for atom styles that allow impropers to be
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defined.
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This improper style is part of the "molecular" package. It is only
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enabled 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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[Related commands:]
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"improper_coeff"_improper_coeff.html
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[Default:] none
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