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Anthony Scemama 2020-02-26 10:44:40 +01:00
parent 9ea4377f07
commit 273200c829
1 changed files with 39 additions and 37 deletions
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@ -835,40 +835,42 @@ qp_name potential_sr_c_beta_ao_pbe --rename=potential_c_beta_ao_sr_pbe
qp_name potential_sr_xc_alpha_ao_pbe --rename=potential_xc_alpha_ao_sr_pbe
qp_name potential_sr_xc_beta_ao_pbe --rename=potential_xc_beta_ao_sr_pbe
qp_name disk_access_nuclear_repulsion --rename=io_nuclear_repulsion
qp_name nucl_elec_ref_bitmask_energy -r ref_bitmask_n_e_energy
qp_name ref_bitmask_e_n_energy -r ref_bitmask_n_e_energy
qp_name read_ao_integrals_e_n -r read_ao_integrals_n_e
qp_name write_ao_integrals_e_n -r write_ao_integrals_n_e
qp_name is_periodic -r is_complex
qp_name two_e_integrals_index_periodic -r two_e_integrals_index_complex
qp_name get_ao_two_e_integral_periodic -r get_ao_two_e_integral_complex
qp_name import_ao_integrals_periodic -r import_ao_integrals_complex
qp_name ao_two_e_integral_periodic_map_idx_sign -r ao_two_e_integral_complex_map_idx_sign
qp_name ao_ints_periodic_1 -r ao_ints_complex_1
qp_name ao_ints_periodic_2 -r ao_ints_complex_2
qp_name import_mo_coef_periodic -r import_mo_coef_complex
qp_name is_periodic -r is_complex
qp_name get_ao_two_e_integral_periodic_simple -r get_ao_two_e_integral_complex_simple
qp_name ao_integrals_cache_periodic -r ao_integrals_cache_complex
qp_name get_two_e_integral_periodic -r get_two_e_integral_complex
qp_name get_ao_two_e_integrals_non_zero_periodic -r get_ao_two_e_integrals_non_zero_complex
qp_name get_mo_two_e_integrals_exch_ii_periodic -r get_mo_two_e_integrals_exch_ii_complex
qp_name mo_ints_periodic_2 -r mo_ints_complex_2
qp_name mo_ints_periodic_1 -r mo_ints_complex_1
qp_name get_mo_two_e_integrals_i1j1_periodic -r get_mo_two_e_integrals_i1j1_complex
qp_name get_mo_two_e_integrals_exch_ijji_periodic -r get_mo_two_e_integrals_exch_ijji_complex
qp_name get_mo_two_e_integrals_periodic -r get_mo_two_e_integrals_complex
qp_name mo_integrals_cache_periodic -r mo_integrals_cache_complex
qp_name get_two_e_integral_periodic_simple -r get_two_e_integral_complex_simple
qp_name big_array_coulomb_integrals_periodic -r big_array_coulomb_integrals_complex
qp_name big_array_exchange_integrals_periodic -r big_array_exchange_integrals_complex
qp_name get_ao_two_e_integrals_periodic -r get_ao_two_e_integrals_complex
qp_name get_ao_two_e_integrals_non_zero_jl_periodic -r get_ao_two_e_integrals_non_zero_jl_complex
qp_name get_ao_two_e_integrals_non_zero_jl_from_list_periodic -r get_ao_two_e_integrals_non_zero_jl_from_list_complex
qp_name mo_two_e_integral_periodic -r mo_two_e_integral_complex
qp_name get_mo_two_e_integrals_ij_periodic -r get_mo_two_e_integrals_ij_complex
qp_name get_mo_two_e_integrals_coulomb_ii_periodic -r get_mo_two_e_integrals_coulomb_ii_complex
qp_name get_mo_two_e_integrals_coulomb_ijij_periodic -r get_mo_two_e_integrals_coulomb_ijij_complex
qp_name ao_kpt_num -r ao_num_per_kpt
qp_name mo_kpt_num -r mo_num_per_kpt
qp_name num_kpts -r kpt_num
# qp_name nucl_elec_ref_bitmask_energy -r ref_bitmask_n_e_energy
# qp_name ref_bitmask_e_n_energy -r ref_bitmask_n_e_energy
# qp_name read_ao_integrals_e_n -r read_ao_integrals_n_e
# qp_name write_ao_integrals_e_n -r write_ao_integrals_n_e
# qp_name is_periodic -r is_complex
# qp_name two_e_integrals_index_periodic -r two_e_integrals_index_complex
# qp_name get_ao_two_e_integral_periodic -r get_ao_two_e_integral_complex
# qp_name import_ao_integrals_periodic -r import_ao_integrals_complex
# qp_name ao_two_e_integral_periodic_map_idx_sign -r ao_two_e_integral_complex_map_idx_sign
# qp_name ao_ints_periodic_1 -r ao_ints_complex_1
# qp_name ao_ints_periodic_2 -r ao_ints_complex_2
# qp_name import_mo_coef_periodic -r import_mo_coef_complex
# qp_name is_periodic -r is_complex
# qp_name get_ao_two_e_integral_periodic_simple -r get_ao_two_e_integral_complex_simple
# qp_name ao_integrals_cache_periodic -r ao_integrals_cache_complex
# qp_name get_two_e_integral_periodic -r get_two_e_integral_complex
# qp_name get_ao_two_e_integrals_non_zero_periodic -r get_ao_two_e_integrals_non_zero_complex
# qp_name get_mo_two_e_integrals_exch_ii_periodic -r get_mo_two_e_integrals_exch_ii_complex
# qp_name mo_ints_periodic_2 -r mo_ints_complex_2
# qp_name mo_ints_periodic_1 -r mo_ints_complex_1
# qp_name get_mo_two_e_integrals_i1j1_periodic -r get_mo_two_e_integrals_i1j1_complex
# qp_name get_mo_two_e_integrals_exch_ijji_periodic -r get_mo_two_e_integrals_exch_ijji_complex
# qp_name get_mo_two_e_integrals_periodic -r get_mo_two_e_integrals_complex
# qp_name mo_integrals_cache_periodic -r mo_integrals_cache_complex
# qp_name get_two_e_integral_periodic_simple -r get_two_e_integral_complex_simple
# qp_name big_array_coulomb_integrals_periodic -r big_array_coulomb_integrals_complex
# qp_name big_array_exchange_integrals_periodic -r big_array_exchange_integrals_complex
# qp_name get_ao_two_e_integrals_periodic -r get_ao_two_e_integrals_complex
# qp_name get_ao_two_e_integrals_non_zero_jl_periodic -r get_ao_two_e_integrals_non_zero_jl_complex
# qp_name get_ao_two_e_integrals_non_zero_jl_from_list_periodic -r get_ao_two_e_integrals_non_zero_jl_from_list_complex
# qp_name mo_two_e_integral_periodic -r mo_two_e_integral_complex
# qp_name get_mo_two_e_integrals_ij_periodic -r get_mo_two_e_integrals_ij_complex
# qp_name get_mo_two_e_integrals_coulomb_ii_periodic -r get_mo_two_e_integrals_coulomb_ii_complex
# qp_name get_mo_two_e_integrals_coulomb_ijij_periodic -r get_mo_two_e_integrals_coulomb_ijij_complex
# qp_name ao_kpt_num -r ao_num_per_kpt
# qp_name mo_kpt_num -r mo_num_per_kpt
# qp_name num_kpts -r kpt_num