LCOV - code coverage report

Current view: top level - src - tblite_interface.F (source / functions) Coverage Total Hit Test: CP2K Regtests (git:06f838d) Lines: 84.0 % 2187 1836 Test Date: 2026-06-05 07:04:50 Functions: 80.0 % 50 40

Function Name	Hit count
__tblite_interface_MOD_build_tblite_matrices	2396
__tblite_interface_MOD_contract_dens	0
__tblite_interface_MOD_contract_dens_kp	0
__tblite_interface_MOD_tb_add_grad	228
__tblite_interface_MOD_tb_add_sig	104
__tblite_interface_MOD_tb_add_spin_polarization	28
__tblite_interface_MOD_tb_add_stress	52
__tblite_interface_MOD_tb_ao_charges_kp_spin	18620
__tblite_interface_MOD_tb_ao_charges_matrix	751246
__tblite_interface_MOD_tb_configure_mixer	2180
__tblite_interface_MOD_tb_contract_dens_kp_spin	130104
__tblite_interface_MOD_tb_contract_dens_matrix	4645152
__tblite_interface_MOD_tb_delete_file	5
__tblite_interface_MOD_tb_derive_dh_diag	114
__tblite_interface_MOD_tb_derive_dh_off	114
__tblite_interface_MOD_tb_dump_sigma_component	0
__tblite_interface_MOD_tb_get_basis	264
__tblite_interface_MOD_tb_get_energy	23488
__tblite_interface_MOD_tb_get_multipole	1224
__tblite_interface_MOD_tb_get_spin_constants	28
__tblite_interface_MOD_tb_grad2force	754
__tblite_interface_MOD_tb_ham_add_coulomb	25710
__tblite_interface_MOD_tb_init_geometry	152
__tblite_interface_MOD_tb_init_ham	2396
__tblite_interface_MOD_tb_init_wf	152
__tblite_interface_MOD_tb_join_path	1
__tblite_interface_MOD_tb_native_scc_mixer_active	91612
__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	114
__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	2332
__tblite_interface_MOD_tb_scf_mixer_error	23376
__tblite_interface_MOD_tb_set_calculator	152
__tblite_interface_MOD_tb_shell_quote	9
__tblite_interface_MOD_tb_shift_multipole	20138982
__tblite_interface_MOD_tb_spin_project	46551350
__tblite_interface_MOD_tb_store_density_ref	4870
__tblite_interface_MOD_tb_update_charges	49086
__tblite_interface_MOD_tb_update_geometry	2396
__tblite_interface_MOD_tb_values_to_matrix	0
__tblite_interface_MOD_tb_write_reference_gen	1
__tblite_interface_MOD_tb_zero_force	114

Generated by: LCOV version 2.0-1