.. index:: pair: struct; rgpot::LJClusterConfig
.. _doxid-structrgpot_1_1_l_j_cluster_config:

struct rgpot::LJClusterConfig
=============================

.. toctree::
	:hidden:

Overview
~~~~~~~~

Parameters for the free-boundary shifted 12-6 Lennard-Jones potential. :ref:`More...<details-structrgpot_1_1_l_j_cluster_config>`


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

	#include <LJClusterPot.hpp>
	
	struct LJClusterConfig {
		// fields
	
		double :ref:`u0<doxid-structrgpot_1_1_l_j_cluster_config_1a8b76bf73b3e6bee784d5d9879d2f07d9>` = 1.0;
		double :ref:`cutoff<doxid-structrgpot_1_1_l_j_cluster_config_1a576f1d46fb70dbb642b16e8f7860ec99>` = 15.0;
		double :ref:`psi<doxid-structrgpot_1_1_l_j_cluster_config_1a63e599f50be53d3e5c909b5ae71d1601>` = 1.0;
	};
.. _details-structrgpot_1_1_l_j_cluster_config:

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

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

Plain aggregate with inline defaults (reduced units): construct with designated initializers.

Fields
------

.. index:: pair: variable; u0
.. _doxid-structrgpot_1_1_l_j_cluster_config_1a8b76bf73b3e6bee784d5d9879d2f07d9:

.. 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_cluster_config_1a576f1d46fb70dbb642b16e8f7860ec99:

.. 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_cluster_config_1a63e599f50be53d3e5c909b5ae71d1601:

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

	double psi = 1.0

Zero-crossing distance (Angstrom).