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https://github.com/LCPQ/quantum_package
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20 lines
749 B
Plaintext
20 lines
749 B
Plaintext
determinants
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n_int integer
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bit_kind integer
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mo_label character*(64)
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n_det integer
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n_states integer
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n_states_diag integer
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psi_coef double precision (determinants_n_det,determinants_n_states)
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psi_det integer*8 (determinants_n_int*determinants_bit_kind/8,2,determinants_n_det)
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n_det_max_jacobi integer
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threshold_generators double precision
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threshold_selectors double precision
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det_num integer
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det_occ integer (electrons_elec_alpha_num,determinants_det_num,2)
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det_coef double precision (determinants_det_num)
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read_wf logical
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expected_s2 double precision
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s2_eig logical
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