forked from lijiext/lammps
55 lines
1.7 KiB
Plaintext
55 lines
1.7 KiB
Plaintext
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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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dihedral_style hybrid command :h3
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[Syntax:]
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dihedral_style hybrid style1 style2 ... :pre
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style1,style2 = list of one or more dihedral styles :ul
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[Examples:]
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dihedral_style hybrid harmonic helix
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dihedral_coeff 1 harmonic 6.0 1 3
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dihedral_coeff 2 helix 10 10 10 :pre
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[Description:]
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The {hybrid} style enables the use of multiple dihedral styles in one
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simulation. An dihedral style is assigned to each dihedral type. For
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example, dihedrals in a polymer flow (of dihedral type 1) could be
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computed with a {harmonic} potential and dihedrals in the wall
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boundary (of dihedral type 2) could be computed with a {helix}
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potential. The assignment of dihedral type to style is made via the
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"dihedral_coeff"_dihedral_coeff.html command or in the data file.
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In the dihedral_coeff command, the first coefficient sets the dihedral
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style and the remaining coefficients are those appropriate to that
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style. In the example above, the 2 dihedral_coeff commands would set
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dihedrals of dihedral type 1 to be computed with a {harmonic}
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potential with coefficients 80.0, 1.2 for K, d, n. Dihedral type 2
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would be computed with a {helix} potential with coefficients 10.0,
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10.0, 10.0 for A, B, C.
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[Restrictions:]
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Dihedral styles can only be set for atom styles that allow dihedrals to be
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defined.
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This dihedral 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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"dihedral_coeff"_dihedral_coeff.html
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[Default:] none
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