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Update docs: angle_harmonic

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Richard Berger
2019-11-14 20:57:34 -05:00
parent 46db670093
commit dcf332f896
4 changed files with 21 additions and 110 deletions
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doc/src/Eqs/angle_harmonic.tex
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@ -1,9 +0,0 @@
\documentclass[12pt]{article}
\begin{document}
$$
E = K (\theta - \theta_0)^2
$$
\end{document}

45
doc/src/angle_harmonic.rst
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@ -1,22 +1,22 @@
.. index:: angle\_style harmonic
.. index:: angle_style harmonic
angle\_style harmonic command
=============================
angle_style harmonic command
============================
angle\_style harmonic/intel command
===================================
angle_style harmonic/intel command
==================================
angle\_style harmonic/kk command
angle_style harmonic/kk command
===============================
angle_style harmonic/omp command
================================
angle\_style harmonic/omp command
=================================
Syntax
""""""
.. parsed-literal::
.. code-block:: LAMMPS
angle_style harmonic
@ -24,7 +24,7 @@ Examples
""""""""
.. parsed-literal::
.. code-block:: LAMMPS
angle_style harmonic
angle_coeff 1 300.0 107.0
@ -34,22 +34,24 @@ Description
The *harmonic* angle style uses the potential
.. image:: Eqs/angle_harmonic.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 (\theta - \theta_0)^2
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/radian\^2)
* theta0 (degrees)
* :math:`K` (energy/radian\^2)
* :math:`\theta_0` (degrees)
Theta0 is specified in degrees, but LAMMPS converts it to radians
internally; hence the units of K are in energy/radian\^2.
:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians
internally; hence the units of :math:`K` are in energy/radian\^2.
----------
@ -91,8 +93,3 @@ Related commands
:doc:`angle\_coeff <angle_coeff>`
**Default:** none
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Commands_all.html