mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-10-09 17:33:05 +02:00
32 lines
828 B
Fortran
32 lines
828 B
Fortran
subroutine extrapolate_data(N_data, data, pt2, output)
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Extrapolate the data to the FCI limit
|
|
END_DOC
|
|
integer, intent(in) :: N_data
|
|
double precision, intent(in) :: data(N_data)
|
|
double precision, intent(in) :: pt2(N_data)
|
|
double precision, intent(out) :: output(N_data)
|
|
|
|
double precision :: data_rev(N_data), pt2_rev(N_data)
|
|
integer :: ifit, i,j
|
|
double precision :: ab(2), x(N_data,2), x_inv(2,N_data), y(N_data)
|
|
|
|
do i=1,N_data
|
|
data_rev(N_data+1-i) = data(i)
|
|
pt2_rev(N_data+1-i) = pt2(i)
|
|
enddo
|
|
|
|
do i=1,N_data
|
|
y(i) = data_rev(i)
|
|
x(i,1) = 1.d0
|
|
x(i,2) = pt2_rev(i)
|
|
enddo
|
|
do ifit=2,N_data
|
|
call get_pseudo_inverse(x,size(x,1),ifit,2,x_inv,size(x_inv,1))
|
|
ab = matmul(x_inv(1:2,1:ifit),y(1:ifit))
|
|
output(ifit) = ab(1)
|
|
enddo
|
|
|
|
end
|