Update docs: angle_fourier

\documentclass[12pt]{article}

\begin{document}

$$

   E = K [C_0 + C_1 \cos ( \theta) + C_2 \cos( 2 \theta) ] 

$$

\end{document}

.. index:: angle\_style fourier

.. index:: angle_style fourier

angle\_style fourier command

============================

angle_style fourier command

===========================

angle\_style fourier/omp command

================================

angle_style fourier/omp command

===============================

Syntax

""""""

.. parsed-literal::

.. code-block:: LAMMPS

   angle_style fourier

Examples

""""""""

angle\_style fourier

angle\_coeff 75.0 1.0 1.0 1.0

.. code-block:: LAMMPS

   angle_style fourier

   angle_coeff 75.0 1.0 1.0 1.0

Description

"""""""""""

The *fourier* angle style uses the potential

.. image:: Eqs/angle_fourier.jpg

   :align: center

.. math::

   E = K [C_0 + C_1 \cos ( \theta) + C_2 \cos( 2 \theta) ]

The following coefficients must be defined for each angle type via the

:doc:`angle\_coeff <angle_coeff>` command as in the example above, or in

the data file or restart files read by the :doc:`read\_data <read_data>`

or :doc:`read\_restart <read_restart>` commands:

* K (energy)

* C0 (real)

* C1 (real)

* C2 (real)

* :math:`K` (energy)

* :math:`C_0` (real)

* :math:`C_1` (real)

* :math:`C_2` (real)

----------

:doc:`angle\_coeff <angle_coeff>`

**Default:** none

.. _lws: http://lammps.sandia.gov

.. _ld: Manual.html

.. _lc: Commands_all.html

"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)

:line

angle_style fourier command :h3

angle_style fourier/omp command :h3

[Syntax:]

angle_style fourier :pre

[Examples:]

angle_style fourier

angle_coeff 75.0 1.0 1.0 1.0

[Description:]

The {fourier} angle style uses the potential

:c,image(Eqs/angle_fourier.jpg)

The following coefficients must be defined for each angle type via the

"angle_coeff"_angle_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 (real)

C1 (real)

C2 (real) :ul

:line

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.

:line

[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:]

"angle_coeff"_angle_coeff.html

[Default:] none