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https://github.com/LCPQ/quantum_package
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20 lines
376 B
Fortran
20 lines
376 B
Fortran
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program dump_nto
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implicit none
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integer :: i,j, istate
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print *, 'Phi_S'
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do i=2,N_states
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print *, i, Phi_S(i)
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enddo
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do istate=2,N_states
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do j=1,mo_tot_num
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print *, 'MO: ', j, 'State:', istate, 'Eig:', one_body_dm_mo_diff_eigvalues(j,istate)
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do i=1,ao_num
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print *, i, transition_natorb(i,j,istate)
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enddo
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enddo
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enddo
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end
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