LCOV - code coverage report

Current view: top level - src - tblite_interface.F (source / functions) Coverage Total Hit Test: CP2K Regtests (git:21ef868) Lines: 83.5 % 2164 1806 Test Date: 2026-08-14 07:04:57 Functions: 77.6 % 49 38

Function Name	Hit count
__tblite_interface_MOD_build_tblite_matrices	2830
__tblite_interface_MOD_contract_dens	0
__tblite_interface_MOD_contract_dens_kp	0
__tblite_interface_MOD_tb_add_grad	154
__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	29440
__tblite_interface_MOD_tb_ao_charges_matrix	1200008
__tblite_interface_MOD_tb_configure_mixer	2534
__tblite_interface_MOD_tb_contract_dens_kp_spin	203436
__tblite_interface_MOD_tb_contract_dens_matrix	6580386
__tblite_interface_MOD_tb_delete_file	5
__tblite_interface_MOD_tb_derive_dh_off	154
__tblite_interface_MOD_tb_dump_sigma_component	0
__tblite_interface_MOD_tb_get_basis	310
__tblite_interface_MOD_tb_get_energy	27204
__tblite_interface_MOD_tb_get_multipole	1454
__tblite_interface_MOD_tb_get_spin_constants	30
__tblite_interface_MOD_tb_grad2force	1030
__tblite_interface_MOD_tb_ham_add_coulomb	29810
__tblite_interface_MOD_tb_init_geometry	174
__tblite_interface_MOD_tb_init_ham	2830
__tblite_interface_MOD_tb_init_wf	174
__tblite_interface_MOD_tb_join_path	1
__tblite_interface_MOD_tb_native_scc_mixer_active	100654
__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	154
__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	2708
__tblite_interface_MOD_tb_scf_mixer_error	27056
__tblite_interface_MOD_tb_set_calculator	174
__tblite_interface_MOD_tb_shell_quote	9
__tblite_interface_MOD_tb_shift_multipole	20390514
__tblite_interface_MOD_tb_spin_project	54097270
__tblite_interface_MOD_tb_store_density_ref	5440
__tblite_interface_MOD_tb_update_charges	56934
__tblite_interface_MOD_tb_update_geometry	2830
__tblite_interface_MOD_tb_values_to_matrix	0
__tblite_interface_MOD_tb_write_reference_gen	1
__tblite_interface_MOD_tb_zero_force	154

Generated by: LCOV version 2.0-1