mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-25 05:31:48 +02:00
save before merge
This commit is contained in:
parent
9ea4377f07
commit
273200c829
76
REPLACE
76
REPLACE
@ -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
|
||||
|
Loading…
Reference in New Issue
Block a user