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quantum_package/plugins/Properties/print_hcc.irp.f
2016-02-17 10:52:57 +01:00

18 lines
397 B
Fortran

program print_hcc
implicit none
read_wf = .True.
touch read_wf
call test
end
subroutine test
implicit none
double precision :: accu
integer :: i,j
print*,'Z AU GAUSS MHZ cm^-1'
do i = 1, nucl_num
write(*,'(I2,X,F3.1,X,4(F16.6,X))')i,nucl_charge(i),spin_density_at_nucleous(i),iso_hcc_gauss(i),iso_hcc_mhz(i),iso_hcc_cm_1(i)
enddo
end