"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Commands_all.html)

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improper_style fourier command :h3
improper_style fourier/omp command :h3

[Syntax:]

improper_style fourier :pre

[Examples:]

improper_style fourier
improper_coeff 1 100.0 0.0 1.0 0.5 1 :pre

[Description:]

The {fourier} improper style uses the following potential:

:c,image(Eqs/improper_fourier.jpg)

where K is the force constant, C0, C1, C2 are dimensionless coefficients,
and omega is the angle between the IL axis and the IJK plane:

:c,image(JPG/umbrella.jpg)

If all parameter (see below) is not zero, the all the three possible angles will taken in account.

The following coefficients must be defined for each improper type via
the "improper_coeff"_improper_coeff.html command as in the example
above, or in the data file or restart files read by the
"read_data"_read_data.html or "read_restart"_read_restart.html
commands:

K (energy)
C0 (unitless)
C1 (unitless)
C2 (unitless)
all  (0 or 1, optional) :ul

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Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
hardware, as discussed on the "Speed packages"_Speed_packages.html doc
page.  The accelerated styles take the same arguments and should
produce the same results, except for round-off and precision issues.

These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
USER-OMP and OPT packages, respectively.  They are only enabled if
LAMMPS was built with those packages.  See the "Build
package"_Build_package.html doc page for more info.

You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Run_options.html when you invoke LAMMPS, or you can use the
"suffix"_suffix.html command in your input script.

See the "Speed packages"_Speed_packages.html doc page for more
instructions on how to use the accelerated styles effectively.

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[Restrictions:]

This angle style can only be used if LAMMPS was built with the
USER_MISC package.  See the "Build package"_Build_package.html doc
page for more info.

[Related commands:]

"improper_coeff"_improper_coeff.html

[Default:] none

