65 lines
1.1 KiB
ReStructuredText
65 lines
1.1 KiB
ReStructuredText
.. index:: angle_style fourier
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.. index:: angle_style fourier/omp
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angle_style fourier command
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===========================
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Accelerator Variants: *fourier/omp*
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Syntax
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""""""
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.. code-block:: LAMMPS
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angle_style fourier
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Examples
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""""""""
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.. code-block:: LAMMPS
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angle_style fourier
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angle_coeff 75.0 1.0 1.0 1.0
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Description
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"""""""""""
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The *fourier* angle style uses the potential
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.. math::
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E = K [C_0 + C_1 \cos ( \theta) + C_2 \cos( 2 \theta) ]
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The following coefficients must be defined for each angle type via the
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:doc:`angle_coeff <angle_coeff>` command as in the example above, or in
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the data file or restart files read by the :doc:`read_data <read_data>`
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or :doc:`read_restart <read_restart>` commands:
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* :math:`K` (energy)
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* :math:`C_0` (real)
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* :math:`C_1` (real)
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* :math:`C_2` (real)
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----------
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.. include:: accel_styles.rst
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----------
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Restrictions
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""""""""""""
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This angle style can only be used if LAMMPS was built with the
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USER_MISC package. See the :doc:`Build package <Build_package>` doc
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page for more info.
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Related commands
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""""""""""""""""
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:doc:`angle_coeff <angle_coeff>`
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Default
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"""""""
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none
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