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]

number

Atomic 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]

symbol

Element symbol

Returns

atomic EN

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

• /home/runner/work/tblite/tblite/src/tblite/data/paulingen.f90