.. index:: pair: struct; rgpot::D3Config
.. _doxid-structrgpot_1_1_d3_config:

struct rgpot::D3Config
======================

.. toctree::
	:hidden:

Overview
~~~~~~~~

Linked s-dftd3 pot (NEEDED libs-dftd3). :ref:`More...<details-structrgpot_1_1_d3_config>`


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

	#include <D3Pot.hpp>
	
	struct D3Config {
		// fields
	
		:ref:`D3Damping<doxid-namespacergpot_1ad2c0c9f9065c92cae6f5bbe30db75610>` :target:`damping<doxid-structrgpot_1_1_d3_config_1aba7313a94637f1fe6c2b1d648b223b2f>` = D3Damping::BJ;
		std::string :target:`functional<doxid-structrgpot_1_1_d3_config_1a30165ca733e6124576ba109872246352>` = "pbe";
		bool :ref:`atm<doxid-structrgpot_1_1_d3_config_1aeee24bf9a424a4d339f64a9dce9365c5>` = true;
	};
.. _details-structrgpot_1_1_d3_config:

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

Linked s-dftd3 pot (NEEDED libs-dftd3).

``atm`` is the Axilrod-Teller-Muto E(3) three-body term. The literature D3-ATM default is on; the flag is an explicit constructor field so tests can pin both states. ``functional`` is the s-dftd3 method key for C6 parameters (for example ``"pbe"``).

Fields
------

.. index:: pair: variable; atm
.. _doxid-structrgpot_1_1_d3_config_1aeee24bf9a424a4d339f64a9dce9365c5:

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

	bool atm = true

Axilrod-Teller-Muto E(3); default on (D3-ATM).