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https://github.com/LCPQ/quantum_package
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27 lines
470 B
Fortran
27 lines
470 B
Fortran
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program bk
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implicit none
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BEGIN_DOC
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! Shifted-Bk method
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END_DOC
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read_wf = .True.
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state_following = .True.
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TOUCH read_wf state_following
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call run()
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end
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subroutine run
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implicit none
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call diagonalize_ci_dressed
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integer :: istate
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print *, 'Bk Energy'
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print *, '---------'
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print *, ''
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do istate = 1,N_states
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print *, istate, CI_energy_dressed(istate)
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enddo
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! call save_wavefunction
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call ezfio_set_bk_energy(ci_energy_dressed(1))
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end
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