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documentation file for gaussian bond_style

doc/src/bond_gaussian.rst

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+.. index:: bond_style gaussian
+
+bond_style gaussian command
+================================
+
+Syntax
+""""""
+
+.. code-block:: LAMMPS
+
+   bond_style gaussian
+
+Examples
+""""""""
+
+.. code-block:: LAMMPS
+
+   bond_style gaussian
+   bond_coeff 1 300.0 2 0.0128 0.375 3.37 0.0730 0.148 3.63
+
+Description
+"""""""""""
+
+The *gaussian* bond style uses the potential:
+
+.. math::
+
+   E = -k_B T ln\left(\sum_{i=1}^{n} \frac{A_i}{w_i \sqrt{\pi/2}} exp\left( \frac{-(r-r_{i})^2}{w_i^2})\right) \right)
+
+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:
+
+* T temperature at which the potential was derived
+* :math:`n` (integer >=1)
+* :math:`A_1` (-)
+* :math:`w_1` (-)
+* :math:`r_1` (length)
+* ...
+* :math:`A_n` (-)
+* :math:`w_n` (-)
+* :math:`r_n` (length)
+
+
+Restrictions
+""""""""""""
+
+This bond style can only be used if LAMMPS was built with the
+USER-MISC package.  See the :doc:`Build package <Build_package>` doc
+page for more info.
+
+Related commands
+""""""""""""""""
+
+:doc:`bond_coeff <bond_coeff>`
+
+Default
+"""""""
+
+none
+