mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-13 17:43:55 +01:00
73 lines
1.7 KiB
Fortran
73 lines
1.7 KiB
Fortran
|
|
subroutine create_selection_buffer(N, siz, res)
|
|
use selection_types
|
|
implicit none
|
|
|
|
integer, intent(in) :: N, siz
|
|
type(selection_buffer), intent(out) :: res
|
|
|
|
allocate(res%det(N_int, 2, siz), res%val(siz))
|
|
|
|
res%val = 0d0
|
|
res%det = 0_8
|
|
res%N = N
|
|
res%mini = 0d0
|
|
res%cur = 0
|
|
end subroutine
|
|
|
|
|
|
subroutine add_to_selection_buffer(b, det, val)
|
|
use selection_types
|
|
implicit none
|
|
|
|
type(selection_buffer), intent(inout) :: b
|
|
integer(bit_kind), intent(in) :: det(N_int, 2)
|
|
double precision, intent(in) :: val
|
|
integer :: i
|
|
|
|
if(dabs(val) >= b%mini) then
|
|
b%cur += 1
|
|
b%det(1:N_int,1:2,b%cur) = det(1:N_int,1:2)
|
|
b%val(b%cur) = val
|
|
if(b%cur == size(b%val)) then
|
|
call sort_selection_buffer(b)
|
|
end if
|
|
end if
|
|
end subroutine
|
|
|
|
|
|
subroutine sort_selection_buffer(b)
|
|
use selection_types
|
|
implicit none
|
|
|
|
type(selection_buffer), intent(inout) :: b
|
|
double precision, allocatable :: vals(:), absval(:)
|
|
integer, allocatable :: iorder(:)
|
|
integer(bit_kind), allocatable :: detmp(:,:,:)
|
|
integer :: i, nmwen
|
|
logical, external :: detEq
|
|
nmwen = min(b%N, b%cur)
|
|
|
|
|
|
allocate(iorder(b%cur), detmp(N_int, 2, nmwen), absval(b%cur), vals(nmwen))
|
|
absval = -dabs(b%val(:b%cur))
|
|
do i=1,b%cur
|
|
iorder(i) = i
|
|
end do
|
|
call dsort(absval, iorder, b%cur)
|
|
|
|
do i=1, nmwen
|
|
detmp(1:N_int,1,i) = b%det(1:N_int,1,iorder(i))
|
|
detmp(1:N_int,2,i) = b%det(1:N_int,2,iorder(i))
|
|
vals(i) = b%val(iorder(i))
|
|
end do
|
|
b%det = 0_bit_kind
|
|
b%val = 0d0
|
|
b%det(1:N_int,1,1:nmwen) = detmp(1:N_int,1,1:nmwen)
|
|
b%det(1:N_int,2,1:nmwen) = detmp(1:N_int,2,1:nmwen)
|
|
b%val(1:nmwen) = vals(1:nmwen)
|
|
b%mini = max(b%mini,dabs(b%val(b%N)))
|
|
b%cur = nmwen
|
|
end subroutine
|
|
|