Covalent radii for DFT-D3 coordination number. More...

Public Member Functions
elemental real(wp) function	get_covalent_rad_num (num)
	Get covalent radius for a given atomic number.

elemental real(wp) function	get_covalent_rad_sym (sym)
	Get covalent radius for a given element symbol.

Detailed Description

Covalent radii for DFT-D3 coordination number.

Member Function/Subroutine Documentation

elemental real(wp) function tblite_data_covrad::get_covalent_rad::get_covalent_rad_num ( integer, intent(in) num )

Get covalent radius for a given atomic number.

Parameters

[in] num Atomic number

elemental real(wp) function tblite_data_covrad::get_covalent_rad::get_covalent_rad_sym ( character(len=*), intent(in) sym )

Get covalent radius for a given element symbol.

Parameters

[in] sym Element symbol

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