25 lines
648 B
Fortran
25 lines
648 B
Fortran
program diagonalize_h
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implicit none
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BEGIN_DOC
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! Program that extracts the :option:`determinants n_states` lowest
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! states of the Hamiltonian within the set of Slater determinants stored
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! in the |EZFIO| directory.
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!
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! If :option:`determinants s2_eig` = |true|, it will retain only states
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! which correspond to the desired value of
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! :option:`determinants expected_s2`.
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!
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END_DOC
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read_wf = .True.
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touch read_wf
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call routine
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end
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subroutine routine
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implicit none
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call diagonalize_CI
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print*,'N_det = ',N_det
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call save_wavefunction_general(N_det,N_states,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted)
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call print_mol_properties
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end
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