Update docs: bond_gromos

This commit is contained in:
Richard Berger
2019-11-16 19:10:25 -05:00
parent a3b3b761ef
commit 5760de0587
4 changed files with 15 additions and 100 deletions

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\documentclass[12pt]{article}
\pagestyle{empty}
\begin{document}
$$
E = K (r^2 - r_0^2)^2
$$
\end{document}

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.. index:: bond\_style gromos
.. index:: bond_style gromos
bond\_style gromos command
==========================
bond_style gromos command
=========================
bond\_style gromos/omp command
==============================
bond_style gromos/omp command
=============================
Syntax
""""""
.. parsed-literal::
.. code-block:: LAMMPS
bond_style gromos
@ -18,7 +18,7 @@ Examples
""""""""
.. parsed-literal::
.. code-block:: LAMMPS
bond_style gromos
bond_coeff 5 80.0 1.2
@ -28,19 +28,21 @@ Description
The *gromos* bond style uses the potential
.. image:: Eqs/bond_gromos.jpg
:align: center
.. math::
where r0 is the equilibrium bond distance. Note that the usual 1/4
factor is included in K.
E = K (r^2 - r_0^2)^2
where :math:`r_0` is the equilibrium bond distance. Note that the usual 1/4
factor is included in :math:`K`.
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:
* K (energy/distance\^4)
* r0 (distance)
* :math:`K` (energy/distance\^4)
* :math:`r_0` (distance)
----------
@ -82,8 +84,3 @@ 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