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lammps/doc/improper_hybrid.txt
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improper_hybrid.txt
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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)
:line
improper_style hybrid command :h3
[Syntax:]
improper_style hybrid style1 style2 ... :pre
style1,style2 = list of one or more improper styles :ul
[Examples:]
improper_style hybrid harmonic helix
improper_coeff 1 harmonic 120.0 30
improper_coeff 2 cvff 20.0 -1 2 :pre
[Description:]
The {hybrid} style enables the use of multiple improper styles in one
simulation. An improper style is assigned to each improper type. For
example, impropers in a polymer flow (of improper type 1) could be
computed with a {harmonic} potential and impropers in the wall
boundary (of improper type 2) could be computed with a {cvff}
potential. The assignment of improper type to style is made via the
"improper_coeff"_improper_coeff.html command or in the data file.
In the improper_coeff command, the first coefficient sets the improper
style and the remaining coefficients are those appropriate to that
style. In the example above, the 2 improper_coeff commands would set
impropers of improper type 1 to be computed with a {harmonic}
potential with coefficients 120.0, 30 for K, X0. Improper type 2
would be computed with a {cvff} potential with coefficients 20.0, -1,
2 for K, d, n.
If the improper {class2} potential is one of the hybrid styles, it
requires additional AngleAngle coefficients be specified in the data
file. These lines must also have an additional "class2" argument
added after the improper type. For improper types which are assigned
to other hybrid styles, use the style name (e.g. "harmonic")
appropriate to that style. The AngleAngle coeffs for that improper
type will then be ignored.
An improper style of {none} can be specified as an argument to
improper_style hybrid and the corresponding improper_coeff commands,
if you desire to turn off certain improper types.
[Restrictions:] none
[Related commands:]
"improper_coeff"_improper_coeff.html
[Default:] none
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