2018-01-27 12:41:48 +01:00
|
|
|
subroutine conv(ideter,deti,dethi)
|
2016-12-19 23:26:16 +01:00
|
|
|
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)
|
2018-01-27 12:41:48 +01:00
|
|
|
integer(kind=selected_int_kind(16)),INTENT(INOUT)::deti
|
|
|
|
integer(kind=selected_int_kind(16)),INTENT(INOUT)::dethi
|
2016-12-19 23:26:16 +01:00
|
|
|
integer::i
|
2018-01-27 12:41:48 +01:00
|
|
|
deti=0
|
|
|
|
dethi=0
|
2016-12-19 23:26:16 +01:00
|
|
|
do i=1,natom
|
|
|
|
if(ideter(natom-i+1).eq.2 .and. ideter(natom-i+1).ne.3)then
|
2018-01-27 12:41:48 +01:00
|
|
|
deti=IBSET(deti,i-1)
|
2016-12-19 23:26:16 +01:00
|
|
|
elseif(ideter(natom-i+1).eq.3)then
|
2018-01-27 12:41:48 +01:00
|
|
|
dethi=IBSET(dethi,i-1)
|
2016-12-19 23:26:16 +01:00
|
|
|
endif
|
|
|
|
enddo
|
|
|
|
end
|