Update docs: bond_morse

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Richard Berger
2019-11-16 22:08:29 -05:00
parent 64c31b377e
commit 35181a66d0
4 changed files with 16 additions and 102 deletions

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\documentclass[12pt]{article}
\begin{document}
$$
% E = D \left[ 1 - \exp \left( -\alpha (r - r_0) \right) \right]^2
E = D \left[ 1 - e^{-\alpha (r - r_0)} \right]^2
$$
\end{document}

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.. index:: bond\_style morse
.. index:: bond_style morse
bond\_style morse command
=========================
bond_style morse command
========================
bond\_style morse/omp command
=============================
bond_style morse/omp command
============================
Syntax
""""""
.. parsed-literal::
.. code-block:: LAMMPS
bond_style morse
@ -18,7 +18,7 @@ Examples
""""""""
.. parsed-literal::
.. code-block:: LAMMPS
bond_style morse
bond_coeff 5 1.0 2.0 1.2
@ -28,20 +28,22 @@ Description
The *morse* bond style uses the potential
.. image:: Eqs/bond_morse.jpg
:align: center
.. math::
where r0 is the equilibrium bond distance, alpha is a stiffness
parameter, and D determines the depth of the potential well.
E = D \left[ 1 - e^{-\alpha (r - r_0)} \right]^2
where :math:`r_0` is the equilibrium bond distance, :math:`\alpha` is a stiffness
parameter, and :math:`D` determines the depth of the potential well.
The following coefficients must be defined for each bond type via the
:doc:`bond\_coeff <bond_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:
* D (energy)
* alpha (inverse distance)
* r0 (distance)
* :math:`D` (energy)
* :math:`\alpha` (inverse distance)
* :math:`r_0` (distance)
----------
@ -83,8 +85,3 @@ Related commands
:doc:`bond\_coeff <bond_coeff>`, :doc:`delete\_bonds <delete_bonds>`
**Default:** none
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Commands_all.html