Update docs: bond_gromos
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\documentclass[12pt]{article}
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\pagestyle{empty}
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\begin{document}
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$$
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E = K (r^2 - r_0^2)^2
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$$
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\end{document}
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.. index:: bond\_style gromos
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.. index:: bond_style gromos
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bond\_style gromos command
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==========================
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bond_style gromos command
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=========================
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bond\_style gromos/omp command
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==============================
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bond_style gromos/omp command
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=============================
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Syntax
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""""""
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.. parsed-literal::
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.. code-block:: LAMMPS
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bond_style gromos
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@ -18,7 +18,7 @@ Examples
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""""""""
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.. parsed-literal::
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.. code-block:: LAMMPS
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bond_style gromos
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bond_coeff 5 80.0 1.2
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@ -28,19 +28,21 @@ Description
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The *gromos* bond style uses the potential
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.. image:: Eqs/bond_gromos.jpg
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:align: center
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.. math::
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where r0 is the equilibrium bond distance. Note that the usual 1/4
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factor is included in K.
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E = K (r^2 - r_0^2)^2
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where :math:`r_0` is the equilibrium bond distance. Note that the usual 1/4
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factor is included in :math:`K`.
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The following coefficients must be defined for each bond type via the
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:doc:`bond\_coeff <bond_coeff>` command as in the example above, or in
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the data file or restart files read by the :doc:`read\_data <read_data>`
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or :doc:`read\_restart <read_restart>` commands:
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* K (energy/distance\^4)
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* r0 (distance)
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* :math:`K` (energy/distance\^4)
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* :math:`r_0` (distance)
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----------
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@ -82,8 +84,3 @@ Related commands
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:doc:`bond\_coeff <bond_coeff>`, :doc:`delete\_bonds <delete_bonds>`
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**Default:** none
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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