set_refcn Interface

public interface set_refcn

Module Procedures

private pure subroutine set_refcn_sym(cn, sym)

Set the reference coordination numbers for an element symbol

Arguments

Type IntentOptional Attributes Name
real(kind=wp), intent(out) :: cn(:)

Reference coordination number
character(len=*), intent(in) :: sym

Element symbol

private pure subroutine set_refcn_num(cn, num)

Set the reference coordination numbers for an atomic number

Arguments

Type IntentOptional Attributes Name
real(kind=wp), intent(out) :: cn(:)

Reference coordination number
integer, intent(in) :: num

Atomic number