LCOV - code coverage report

Current view: top level - src - tblite_interface.F (source / functions) Coverage Total Hit Test: CP2K Regtests (git:24d69ee) Lines: 83.4 % 2164 1805 Test Date: 2026-09-03 07:32:15 Functions: 77.6 % 49 38

Function Name	Hit count
__tblite_interface_MOD_build_tblite_matrices	2750
__tblite_interface_MOD_contract_dens	0
__tblite_interface_MOD_contract_dens_kp	0
__tblite_interface_MOD_tb_add_grad	150
__tblite_interface_MOD_tb_add_sig	0
__tblite_interface_MOD_tb_add_spin_polarization	30
__tblite_interface_MOD_tb_add_stress	84
__tblite_interface_MOD_tb_ao_charges_kp_spin	25636
__tblite_interface_MOD_tb_ao_charges_matrix	1293384
__tblite_interface_MOD_tb_configure_mixer	2446
__tblite_interface_MOD_tb_contract_dens_kp_spin	162414
__tblite_interface_MOD_tb_contract_dens_matrix	5717196
__tblite_interface_MOD_tb_delete_file	5
__tblite_interface_MOD_tb_derive_dh_off	150
__tblite_interface_MOD_tb_dump_sigma_component	0
__tblite_interface_MOD_tb_get_basis	324
__tblite_interface_MOD_tb_get_energy	25384
__tblite_interface_MOD_tb_get_multipole	1368
__tblite_interface_MOD_tb_get_spin_constants	30
__tblite_interface_MOD_tb_grad2force	1006
__tblite_interface_MOD_tb_ham_add_coulomb	27902
__tblite_interface_MOD_tb_init_geometry	188
__tblite_interface_MOD_tb_init_ham	2750
__tblite_interface_MOD_tb_init_wf	188
__tblite_interface_MOD_tb_join_path	1
__tblite_interface_MOD_tb_native_scc_mixer_active	93962
__tblite_interface_MOD_tb_parse_real_line	0
__tblite_interface_MOD_tb_read_real_values	0
__tblite_interface_MOD_tb_read_reference_grad	0
__tblite_interface_MOD_tb_reference_cleanup	1
__tblite_interface_MOD_tb_reference_cli_aux_commands	0
__tblite_interface_MOD_tb_reference_cli_compare	150
__tblite_interface_MOD_tb_reference_cli_execute	0
__tblite_interface_MOD_tb_reference_guess_name	1
__tblite_interface_MOD_tb_reference_method_name	1
__tblite_interface_MOD_tb_reference_smear_method_name	0
__tblite_interface_MOD_tb_reference_solver_name	1
__tblite_interface_MOD_tb_reset_mixer	2634
__tblite_interface_MOD_tb_scf_mixer_error	24596
__tblite_interface_MOD_tb_set_calculator	188
__tblite_interface_MOD_tb_shell_quote	9
__tblite_interface_MOD_tb_shift_multipole	20058754
__tblite_interface_MOD_tb_spin_project	67326590
__tblite_interface_MOD_tb_store_density_ref	5440
__tblite_interface_MOD_tb_update_charges	53206
__tblite_interface_MOD_tb_update_geometry	2750
__tblite_interface_MOD_tb_values_to_matrix	0
__tblite_interface_MOD_tb_write_reference_gen	1
__tblite_interface_MOD_tb_zero_force	150

Generated by: LCOV version 2.0-1