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correction
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@ -729,7 +729,7 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d
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endif
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integer :: twice_hierarchy
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twice_hierarchy = degree + s/2
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if (twice_hierarchy_max > twice_hierarchy_max) cycle
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if (twice_hierarchy > twice_hierarchy_max) cycle
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endif
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Hii = diag_H_mat_elem_fock(psi_det_generators(1,1,i_generator),det,fock_diag_tmp,N_int)
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