a_coef()
a_operator()
a_operator_two_e()
ac_operator()
ac_operator_two_e()
add_integrals_to_map()
add_integrals_to_map_erf()
add_integrals_to_map_no_exit_34()
add_integrals_to_map_three_indices()
add_poly()
add_poly_multiply()
add_task_to_taskserver()
add_to_selection_buffer()
ao_l4()
ao_ortho_cano_to_ao()
ao_power_index()
ao_to_mo()
ao_two_e_integral()
ao_two_e_integral_erf()
ao_two_e_integral_schwartz_accel()
ao_two_e_integral_schwartz_accel_erf()
ao_two_e_integrals_erf_in_map_collector()
ao_two_e_integrals_erf_in_map_slave()
ao_two_e_integrals_erf_in_map_slave_inproc()
ao_two_e_integrals_erf_in_map_slave_tcp()
ao_two_e_integrals_in_map_collector()
ao_two_e_integrals_in_map_slave()
ao_two_e_integrals_in_map_slave_inproc()
ao_two_e_integrals_in_map_slave_tcp()
ao_value()
apply_excitation()
apply_hole()
apply_holes()
apply_particle()
apply_particles()
apply_rotation()
approx_dble()
b_coef()
berf()
binom_func()
bitstring_to_hexa()
bitstring_to_list()
bitstring_to_list_ab()
bitstring_to_list_in_selection()
bitstring_to_str()
broadcast_chunks_bit_kind()
broadcast_chunks_double()
broadcast_chunks_integer()
broadcast_chunks_integer8()
build_fock_tmp()
cell_function_becke()
check_coherence_functional()
check_mem()
cis()
cisd()
clear_ao_erf_map()
clear_ao_map()
clear_bit_to_integer()
clear_mo_erf_map()
clear_mo_map()
compute_ao_integrals_erf_jl()
compute_ao_integrals_jl()
compute_ao_two_e_integrals()
compute_ao_two_e_integrals_erf()
connect_to_taskserver()
connected_to_hf()
connected_to_ref()
connected_to_ref_by_single()
copy_h_apply_buffer_to_wf()
copy_psi_bilinear_to_psi()
create_guess()
create_microlist()
create_minilist()
create_minilist_find_previous()
create_selection_buffer()
create_wf_of_psi_bilinear_matrix()
damping_scf()
davidson_collector()
davidson_converged()
davidson_diag_hjj_sjj()
davidson_diag_hs2()
davidson_pull_results()
davidson_push_results()
davidson_push_results_async_recv()
davidson_push_results_async_send()
davidson_run_slave()
davidson_slave_inproc()
davidson_slave_tcp()
davidson_slave_work()
dberfda()
dble_fact()
dble_fact_even()
dble_fact_odd()
dble_logfact()
ddfact2()
debug_det()
debug_spindet()
decode_exc()
decode_exc_spin()
delete_selection_buffer()
dens_grad_a_b_no_core_and_aos_grad_aos_at_r()
density_and_grad_alpha_beta_and_all_aos_and_grad_aos_at_r()
derivative_knowles_function()
det_inf()
det_search_key()
detcmp()
deteq()
diag_h_mat_elem()
diag_h_mat_elem_fock()
diag_h_mat_elem_one_e()
diag_s_mat_elem()
diag_wee_mat_elem()
diagonalize_ci()
diagonalize_h()
disconnect_from_taskserver()
disconnect_from_taskserver_state()
dm_dft_alpha_beta_and_all_aos_at_r()
dm_dft_alpha_beta_at_r()
dm_dft_alpha_beta_no_core_at_r()
do_single_excitation()
dpol()
dpold()
dpoldd()
dset_order()
dset_order_big()
dsort()
dump_ao_integrals()
dump_ao_integrals_erf()
dump_mo_integrals()
ec_lda()
ec_lda_sr()
ec_only_lda_sr()
ec_pbe_only()
ec_pbe_sr()
ecorrlr()
ecpw()
end_parallel_job()
end_zmq_pair_socket()
end_zmq_pull_socket()
end_zmq_push_socket()
end_zmq_sub_socket()
end_zmq_to_qp_run_socket()
erf0()
eri()
eri_erf()
ex_lda()
ex_lda_sr()
ex_pbe_sr()
ex_pbe_sr_only()
example_becke_numerical_grid()
example_bitmask()
example_determinants()
example_determinants_psi_det()
extrapolate_data()
f_function_becke()
f_integral()
fact()
fci()
fcidump()
fill_buffer_double()
fill_h_apply_buffer_no_selection()
fill_h_apply_buffer_selection()
filter_connected()
filter_connected_i_h_psi0()
filter_not_connected()
find_rotation()
four_idx_transform()
g0d()
g0dd()
g0f()
gammln()
gammp()
gauleg()
gaussian_product()
gaussian_product_x()
gcf()
generate_all_alpha_beta_det_products()
get_all_spin_doubles()
get_all_spin_doubles_1()
get_all_spin_doubles_2()
get_all_spin_doubles_3()
get_all_spin_doubles_4()
get_all_spin_doubles_n_int()
get_all_spin_singles()
get_all_spin_singles_1()
get_all_spin_singles_2()
get_all_spin_singles_3()
get_all_spin_singles_4()
get_all_spin_singles_and_doubles()
get_all_spin_singles_and_doubles_1()
get_all_spin_singles_and_doubles_2()
get_all_spin_singles_and_doubles_3()
get_all_spin_singles_and_doubles_4()
get_all_spin_singles_and_doubles_n_int()
get_all_spin_singles_n_int()
get_ao_erf_map_size()
get_ao_map_size()
get_ao_two_e_integral()
get_ao_two_e_integral_erf()
get_ao_two_e_integrals()
get_ao_two_e_integrals_erf()
get_ao_two_e_integrals_erf_non_zero()
get_ao_two_e_integrals_non_zero()
get_ao_two_e_integrals_non_zero_jl()
get_ao_two_e_integrals_non_zero_jl_from_list()
get_d0()
get_d1()
get_d2()
get_double_excitation()
get_double_excitation_spin()
get_excitation()
get_excitation_degree()
get_excitation_degree_spin()
get_excitation_degree_vector()
get_excitation_degree_vector_double_alpha_beta()
get_excitation_degree_vector_single()
get_excitation_degree_vector_single_or_exchange()
get_excitation_degree_vector_single_or_exchange_verbose()
get_excitation_spin()
get_index_in_psi_det_alpha_unique()
get_index_in_psi_det_beta_unique()
get_index_in_psi_det_sorted_bit()
get_inverse()
get_mask_phase()
get_mo_erf_map_size()
get_mo_map_size()
get_mo_two_e_integral_erf()
get_mo_two_e_integrals()
get_mo_two_e_integrals_coulomb_ii()
get_mo_two_e_integrals_erf()
get_mo_two_e_integrals_erf_coulomb_ii()
get_mo_two_e_integrals_erf_exch_ii()
get_mo_two_e_integrals_erf_i1j1()
get_mo_two_e_integrals_erf_ij()
get_mo_two_e_integrals_exch_ii()
get_mo_two_e_integrals_i1j1()
get_mo_two_e_integrals_ij()
get_occupation_from_dets()
get_phase()
get_phase_bi()
get_phasemask_bit()
get_pseudo_inverse()
get_s2()
get_single_excitation()
get_single_excitation_from_fock()
get_single_excitation_spin()
get_task_from_taskserver()
get_tasks_from_taskserver()
get_two_e_integral()
get_uj_s2_ui()
getmobiles()
getunitandopen()
give_all_aos_and_grad_and_lapl_at_r()
give_all_aos_and_grad_at_r()
give_all_aos_at_r()
give_all_erf_kl_ao()
give_all_mos_and_grad_and_lapl_at_r()
give_all_mos_and_grad_at_r()
give_all_mos_at_r()
give_explicit_poly_and_gaussian()
give_explicit_poly_and_gaussian_double()
give_explicit_poly_and_gaussian_x()
give_polynom_mult_center_x()
give_polynomial_mult_center_one_e()
gpw()
grad_rho_ab_to_grad_rho_oc()
gser()
h_apply_cis()
h_apply_cis_diexc()
h_apply_cis_diexcorg()
h_apply_cis_diexcp()
h_apply_cis_monoexc()
h_apply_cis_sym()
h_apply_cis_sym_diexc()
h_apply_cis_sym_diexcorg()
h_apply_cis_sym_diexcp()
h_apply_cis_sym_monoexc()
h_apply_cisd()
h_apply_cisd_diexc()
h_apply_cisd_diexcorg()
h_apply_cisd_diexcp()
h_apply_cisd_monoexc()
h_apply_cisd_sym()
h_apply_cisd_sym_diexc()
h_apply_cisd_sym_diexcorg()
h_apply_cisd_sym_diexcp()
h_apply_cisd_sym_monoexc()
h_s2_u_0_nstates_openmp()
h_s2_u_0_nstates_openmp_work()
h_s2_u_0_nstates_openmp_work_1()
h_s2_u_0_nstates_openmp_work_2()
h_s2_u_0_nstates_openmp_work_3()
h_s2_u_0_nstates_openmp_work_4()
h_s2_u_0_nstates_openmp_work_n_int()
h_s2_u_0_nstates_zmq()
h_s2_u_0_two_e_nstates_openmp()
h_s2_u_0_two_e_nstates_openmp_work()
h_s2_u_0_two_e_nstates_openmp_work_1()
h_s2_u_0_two_e_nstates_openmp_work_2()
h_s2_u_0_two_e_nstates_openmp_work_3()
h_s2_u_0_two_e_nstates_openmp_work_4()
h_s2_u_0_two_e_nstates_openmp_work_n_int()
hcore_guess()
heap_dsort()
heap_dsort_big()
heap_i2sort()
heap_i2sort_big()
heap_i8sort()
heap_i8sort_big()
heap_isort()
heap_isort_big()
heap_sort()
heap_sort_big()
hermite()
huckel_guess()
i2set_order()
i2set_order_big()
i2sort()
i8set_order()
i8set_order_big()
i8sort()
i_h_j()
i_h_j_double_alpha_beta()
i_h_j_double_spin()
i_h_j_mono_spin_one_e()
i_h_j_one_e()
i_h_j_s2()
i_h_j_single_spin()
i_h_j_two_e()
i_h_j_verbose()
i_h_psi()
i_h_psi_minilist()
i_s2_psi_minilist()
i_wee_j_single()
i_x1_pol_mult()
initialize_bitmask_to_restart_ones()
initialize_mo_coef_begin_iteration()
insert_into_ao_integrals_erf_map()
insert_into_ao_integrals_map()