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qp2/src/tools/sort_wf.irp.f
2023-03-28 11:21:19 +02:00

21 lines
398 B
Fortran

program sort_wf
implicit none
read_wf = .true.
touch read_wf
call routine
end
subroutine routine
implicit none
integer :: i
character*(128) :: output
integer :: i_unit_output,getUnitAndOpen
output=trim(ezfio_filename)//'.wf_sorted'
i_unit_output = getUnitAndOpen(output,'w')
do i = 1, N_det
write(i_unit_output, *)i,dabs(psi_coef_sorted(i,1))/dabs(psi_coef_sorted(1,1))
enddo
end