.. index:: pair: struct; rgpot::ZblPairCoeffs
.. _doxid-structrgpot_1_1_zbl_pair_coeffs:

struct rgpot::ZblPairCoeffs
===========================

.. toctree::
	:hidden:

Overview
~~~~~~~~

Screening and switching coefficients for one ordered pair of species. :ref:`More...<details-structrgpot_1_1_zbl_pair_coeffs>`


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

	#include <ZBLPot.hpp>
	
	struct ZblPairCoeffs {
		// fields
	
		double :ref:`d1<doxid-structrgpot_1_1_zbl_pair_coeffs_1a405b0dec90d2e5a50b09738d825bf1c4>` = 0.0;
		double :ref:`d2<doxid-structrgpot_1_1_zbl_pair_coeffs_1ada191454f7b4f9199bc87fd008a64eaa>` = 0.0;
		double :ref:`d3<doxid-structrgpot_1_1_zbl_pair_coeffs_1af45ac09f66a2cf30eb7f4f0192598a0a>` = 0.0;
		double :ref:`d4<doxid-structrgpot_1_1_zbl_pair_coeffs_1a63edd4a77f843a23f3c129bc3f351f59>` = 0.0;
		double :ref:`zze<doxid-structrgpot_1_1_zbl_pair_coeffs_1a2cc4db1030b4705ec76181e99a5b5858>` = 0.0;
		double :ref:`sw1<doxid-structrgpot_1_1_zbl_pair_coeffs_1ac185e999d448f02d749c588e13e7ba62>` = 0.0;
		double :ref:`sw2<doxid-structrgpot_1_1_zbl_pair_coeffs_1a0731df88acc10abb7f06f1feedeb5f5a>` = 0.0;
		double :ref:`sw3<doxid-structrgpot_1_1_zbl_pair_coeffs_1a2c7f10d7efa2617304f1bed60870fbdb>` = 0.0;
		double :ref:`sw4<doxid-structrgpot_1_1_zbl_pair_coeffs_1a3e0b8745a534be214e7c4633166ad760>` = 0.0;
		double :ref:`sw5<doxid-structrgpot_1_1_zbl_pair_coeffs_1a96149b8982a74c6c74d9b13762adc032>` = 0.0;
	};
.. _details-structrgpot_1_1_zbl_pair_coeffs:

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

Screening and switching coefficients for one ordered pair of species.

Fields
------

.. index:: pair: variable; d1
.. _doxid-structrgpot_1_1_zbl_pair_coeffs_1a405b0dec90d2e5a50b09738d825bf1c4:

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

	double d1 = 0.0

Screening exponent 1, scaled by the pair radius.

.. index:: pair: variable; d2
.. _doxid-structrgpot_1_1_zbl_pair_coeffs_1ada191454f7b4f9199bc87fd008a64eaa:

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

	double d2 = 0.0

Screening exponent 2, scaled by the pair radius.

.. index:: pair: variable; d3
.. _doxid-structrgpot_1_1_zbl_pair_coeffs_1af45ac09f66a2cf30eb7f4f0192598a0a:

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

	double d3 = 0.0

Screening exponent 3, scaled by the pair radius.

.. index:: pair: variable; d4
.. _doxid-structrgpot_1_1_zbl_pair_coeffs_1a63edd4a77f843a23f3c129bc3f351f59:

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

	double d4 = 0.0

Screening exponent 4, scaled by the pair radius.

.. index:: pair: variable; zze
.. _doxid-structrgpot_1_1_zbl_pair_coeffs_1a2cc4db1030b4705ec76181e99a5b5858:

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

	double zze = 0.0

Z_i Z_j e^2 in eV Angstrom.

.. index:: pair: variable; sw1
.. _doxid-structrgpot_1_1_zbl_pair_coeffs_1ac185e999d448f02d749c588e13e7ba62:

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

	double sw1 = 0.0

Quadratic switching coefficient of the force.

.. index:: pair: variable; sw2
.. _doxid-structrgpot_1_1_zbl_pair_coeffs_1a0731df88acc10abb7f06f1feedeb5f5a:

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

	double sw2 = 0.0

Cubic switching coefficient of the force.

.. index:: pair: variable; sw3
.. _doxid-structrgpot_1_1_zbl_pair_coeffs_1a2c7f10d7efa2617304f1bed60870fbdb:

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

	double sw3 = 0.0

Cubic switching coefficient of the energy.

.. index:: pair: variable; sw4
.. _doxid-structrgpot_1_1_zbl_pair_coeffs_1a3e0b8745a534be214e7c4633166ad760:

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

	double sw4 = 0.0

Quartic switching coefficient of the energy.

.. index:: pair: variable; sw5
.. _doxid-structrgpot_1_1_zbl_pair_coeffs_1a96149b8982a74c6c74d9b13762adc032:

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

	double sw5 = 0.0

Constant energy offset at the cutoff.