Update docs: angle_cosine_delta

This commit is contained in:
Richard Berger
2019-11-14 15:52:29 -05:00
parent 00fc015e4c
commit 71304c3b8c
4 changed files with 17 additions and 105 deletions

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\documentclass[12pt]{article}
\begin{document}
$$
E = K [1 - \cos(\theta - \theta_0)]
$$
\end{document}

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.. index:: angle\_style cosine/delta
.. index:: angle_style cosine/delta
angle\_style cosine/delta command
=================================
angle_style cosine/delta command
================================
angle\_style cosine/delta/omp command
=====================================
angle_style cosine/delta/omp command
====================================
Syntax
""""""
.. parsed-literal::
.. code-block:: LAMMPS
angle_style cosine/delta
@ -18,31 +18,33 @@ Examples
""""""""
.. parsed-literal::
.. code-block:: LAMMPS
angle_style cosine/delta
angle_coeff 2\*4 75.0 100.0
angle_coeff 2*4 75.0 100.0
Description
"""""""""""
The *cosine/delta* angle style uses the potential
.. image:: Eqs/angle_cosine_delta.jpg
:align: center
.. math::
where theta0 is the equilibrium value of the angle, and K is a
prefactor. Note that the usual 1/2 factor is included in K.
E = K [1 - \cos(\theta - \theta_0)]
where :math:`\theta_0` is the equilibrium value of the angle, and :math:`K` is a
prefactor. Note that the usual 1/2 factor is included in :math:`K`.
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)
* theta0 (degrees)
* :math:`K` (energy)
* :math:`\theta_0` (degrees)
Theta0 is specified in degrees, but LAMMPS converts it to radians
:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians
internally.
@ -85,8 +87,3 @@ Related commands
:doc:`angle\_coeff <angle_coeff>`, :doc:`angle\_style cosine/squared <angle_cosine_squared>`
**Default:** none
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Commands_all.html