get_identity Interface

public interface get_identity

Get chemical identity


Module Procedures

private pure subroutine get_identity_number(nid, identity, number)

Get chemical identity from a list of atomic numbers

Arguments

Type IntentOptional Attributes Name
integer, intent(out) :: nid

Number of unique species
integer, intent(out) :: identity(:)

Chemical identity
integer, intent(in) :: number(:)

Ordinal numbers

private pure subroutine get_identity_symbol(nid, identity, symbol)

Get chemical identity from a list of element symbols

Arguments

Type IntentOptional Attributes Name
integer, intent(out) :: nid

Number of unique species
integer, intent(out) :: identity(:)

Chemical identity
character(len=*), intent(in) :: symbol(:)

Element symbols