Get D3 van-der-Waals radius for a species. More...

Public Member Functions
elemental real(wp) function	get_vdw_rad_d3_sym (symbol)
	Get van-der-Waals radius for species with a given symbol.

elemental real(wp) function	get_vdw_rad_d3_num (number)
	Get van-der-Waals radius for species with a given atomic number.

Detailed Description

Get D3 van-der-Waals radius for a species.

Member Function/Subroutine Documentation

elemental real(wp) function tblite_solvation_data::get_vdw_rad_d3::get_vdw_rad_d3_num ( integer, intent(in) number )

Get van-der-Waals radius for species with a given atomic number.

Parameters

[in] number Atomic number

elemental real(wp) function tblite_solvation_data::get_vdw_rad_d3::get_vdw_rad_d3_sym ( character(len=*), intent(in) symbol )

Get van-der-Waals radius for species with a given symbol.

Parameters

[in] symbol Element symbol

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