Update docs: bond_morse
This commit is contained in:
Binary file not shown.
|
Before Width: | Height: | Size: 2.5 KiB |
@ -1,10 +0,0 @@
|
||||
\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}
|
||||
@ -1,16 +1,16 @@
|
||||
.. 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
|
||||
|
||||
Reference in New Issue
Block a user