subroutine conv(ideter,det,deth) implicit none BEGIN_DOC ! this routine converts a detrminant in the old ! format into the new one and returns the determinant. END_DOC integer,INTENT(INOUT)::ideter(natomax) integer(kind=selected_int_kind(16)),INTENT(INOUT)::det integer(kind=selected_int_kind(16)),INTENT(INOUT)::deth integer::i det=0 deth=0 do i=1,natom if(ideter(natom-i+1).eq.2 .and. ideter(natom-i+1).ne.3)then det=IBSET(det,i-1) elseif(ideter(natom-i+1).eq.3)then deth=IBSET(deth,i-1) endif enddo end