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QuantumPackage/src/tools/print_sorted_wf_coef.irp.f
2023-03-17 11:26:51 +01:00

20 lines
352 B
Fortran

program sort_wf
implicit none
read_wf =.True.
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))
enddo
end