Update docs: bond_harmonic_shift
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\documentclass[12pt]{article}
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\begin{document}
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$$
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E = \frac{Umin}{(r_0-r_c)^2} \left[ (r-r_0)^2-(r_c-r_0)^2 \right]
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$$
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\end{document}
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.. index:: bond\_style harmonic/shift
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.. index:: bond_style harmonic/shift
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bond\_style harmonic/shift command
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==================================
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bond_style harmonic/shift command
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=================================
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bond\_style harmonic/shift/omp command
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======================================
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bond_style harmonic/shift/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 harmonic/shift
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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 harmonic/shift
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bond_coeff 5 10.0 0.5 1.0
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@ -29,23 +29,25 @@ Description
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The *harmonic/shift* bond style is a shifted harmonic bond that uses
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the potential
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.. image:: Eqs/bond_harmonic_shift.jpg
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:align: center
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.. math::
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where r0 is the equilibrium bond distance, and rc the critical distance.
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The potential is -Umin at r0 and zero at rc. The spring constant is
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k = Umin / [ 2 (r0-rc)\^2].
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E = \frac{U_{\text{min}}}{(r_0-r_c)^2} \left[ (r-r_0)^2-(r_c-r_0)^2 \right]
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where :math:`r_0` is the equilibrium bond distance, and :math:`r_c` the critical distance.
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The potential is :math:`-U_{\text{min}}` at :math:`r0` and zero at :math:`r_c`. The spring constant is
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:math:`k = U_{\text{min}} / [ 2 (r_0-r_c)^2]`.
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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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* Umin (energy)
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* :math:`U_{\text{min}}` (energy)
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* r0 (distance)
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* :math:`r_0` (distance)
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* rc (distance)
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* :math:`r_c` (distance)
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----------
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@ -88,8 +90,3 @@ Related commands
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:doc:`bond\_harmonic <bond_harmonic>`
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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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