mirror of
https://github.com/LCPQ/DEHam
synced 2024-08-15 00:58:30 +02:00
21 lines
606 B
FortranFixed
21 lines
606 B
FortranFixed
![]() |
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
|