.. index:: pair: struct; rgpot::LJConfig
.. _doxid-structrgpot_1_1_l_j_config:

struct rgpot::LJConfig
======================

.. toctree::
	:hidden:

Overview
~~~~~~~~

Parameters for the shifted 12-6 Lennard-Jones potential. :ref:`More...<details-structrgpot_1_1_l_j_config>`


.. ref-code-block:: cpp
	:class: doxyrest-overview-code-block

	#include <LJPot.hpp>
	
	struct LJConfig {
		// fields
	
		double :ref:`u0<doxid-structrgpot_1_1_l_j_config_1a8d1f80251f78287ad556a5c42844a7af>` = 1.0;
		double :ref:`cutoff<doxid-structrgpot_1_1_l_j_config_1a25c0700f7ef1103c0f28bdba3229384d>` = 15.0;
		double :ref:`psi<doxid-structrgpot_1_1_l_j_config_1a6d1cbb56642a64db5d630e7998ff370d>` = 1.0;
	};
.. _details-structrgpot_1_1_l_j_config:

Detailed Documentation
~~~~~~~~~~~~~~~~~~~~~~

Parameters for the shifted 12-6 Lennard-Jones potential.

Plain aggregate with inline defaults: the parameter convention for every classical potential (construct with designated initializers).

Fields
------

.. index:: pair: variable; u0
.. _doxid-structrgpot_1_1_l_j_config_1a8d1f80251f78287ad556a5c42844a7af:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	double u0 = 1.0

Well depth (eV).

.. index:: pair: variable; cutoff
.. _doxid-structrgpot_1_1_l_j_config_1a25c0700f7ef1103c0f28bdba3229384d:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	double cutoff = 15.0

Truncation distance (Angstrom).

.. index:: pair: variable; psi
.. _doxid-structrgpot_1_1_l_j_config_1a6d1cbb56642a64db5d630e7998ff370d:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	double psi = 1.0

Zero-crossing distance (Angstrom).