.. index:: pair: struct; rgpot::MorseConfig
.. _doxid-structrgpot_1_1_morse_config:

struct rgpot::MorseConfig
=========================

.. toctree::
	:hidden:

Overview
~~~~~~~~

Parameters for the shifted Morse potential. :ref:`More...<details-structrgpot_1_1_morse_config>`


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

	#include <MorsePot.hpp>
	
	struct MorseConfig {
		// fields
	
		double :ref:`De<doxid-structrgpot_1_1_morse_config_1a6cf7b71002b50740c613e75b3d27a792>` = 0.7102;
		double :ref:`a<doxid-structrgpot_1_1_morse_config_1ab482b9faf3f187c1d1cc0487ae5992d5>` = 1.6047;
		double :ref:`re<doxid-structrgpot_1_1_morse_config_1a31b7f04e644f1109c6b3512b3290123b>` = 2.8970;
		double :ref:`cutoff<doxid-structrgpot_1_1_morse_config_1aa0d757dd1900ef5c789a918317b9bfb6>` = 9.5;
	};
.. _details-structrgpot_1_1_morse_config:

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

Parameters for the shifted Morse potential.

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

Fields
------

.. index:: pair: variable; De
.. _doxid-structrgpot_1_1_morse_config_1a6cf7b71002b50740c613e75b3d27a792:

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

	double De = 0.7102

Well depth (eV).

.. index:: pair: variable; a
.. _doxid-structrgpot_1_1_morse_config_1ab482b9faf3f187c1d1cc0487ae5992d5:

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

	double a = 1.6047

Range parameter (1/Angstrom).

.. index:: pair: variable; re
.. _doxid-structrgpot_1_1_morse_config_1a31b7f04e644f1109c6b3512b3290123b:

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

	double re = 2.8970

Equilibrium pair distance (Angstrom).

.. index:: pair: variable; cutoff
.. _doxid-structrgpot_1_1_morse_config_1aa0d757dd1900ef5c789a918317b9bfb6:

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

	double cutoff = 9.5

Truncation distance (Angstrom).