tblite
Light-weight tight-binding framework
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Public Member Functions
tblite_data_paulingen::get_pauling_en Interface Reference

Get electronegativity for a species. More...

Public Member Functions

elemental real(wp) function get_pauling_en_symbol (symbol)
 Get electronegativity for species with a given symbol.
 
elemental real(wp) function get_pauling_en_number (number)
 Get electronegativity for species with a given atomic number.
 

Detailed Description

Get electronegativity for a species.

Member Function/Subroutine Documentation

◆ get_pauling_en_number()

elemental real(wp) function tblite_data_paulingen::get_pauling_en::get_pauling_en_number ( integer, intent(in) number)

Get electronegativity for species with a given atomic number.

Parameters
[in]numberAtomic number
Returns
atomic EN

◆ get_pauling_en_symbol()

elemental real(wp) function tblite_data_paulingen::get_pauling_en::get_pauling_en_symbol ( character(len=*), intent(in) symbol)

Get electronegativity for species with a given symbol.

Parameters
[in]symbolElement symbol
Returns
atomic EN

The documentation for this interface was generated from the following file: