get_hardness Interface

public interface get_hardness

Module Procedures

private elemental function get_hardness_num(num) result(eta)

Get chemical hardness for a given atomic number

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: num

Atomic number

Return Value real(kind=wp)

Chemical hardness

private elemental function get_hardness_sym(sym) result(eta)

Get chemical hardness for a given element symbol

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: sym

Element symbol

Return Value real(kind=wp)

Chemical hardness