|
|
|
|
|
|
Filename  |
Line Coverage  |
Functions |
| ace_nlist.F |
|
100.0 % |
102 / 102 |
100.0 % |
1 / 1 |
| ace_wrapper.F |
|
90.9 % |
20 / 22 |
60.0 % |
3 / 5 |
| admm_dm_methods.F |
|
100.0 % |
208 / 208 |
100.0 % |
10 / 10 |
| admm_dm_types.F |
|
96.2 % |
25 / 26 |
33.3 % |
2 / 6 |
| admm_methods.F |
|
95.6 % |
1612 / 1687 |
100.0 % |
31 / 31 |
| admm_types.F |
|
98.2 % |
268 / 273 |
55.6 % |
5 / 9 |
| admm_utils.F |
|
56.9 % |
29 / 51 |
100.0 % |
2 / 2 |
| al_system_types.F |
|
96.9 % |
31 / 32 |
66.7 % |
4 / 6 |
| almo_scf.F |
|
83.0 % |
759 / 915 |
93.8 % |
15 / 16 |
| almo_scf_diis_types.F |
|
88.8 % |
167 / 188 |
75.0 % |
6 / 8 |
| almo_scf_env_methods.F |
|
93.6 % |
191 / 204 |
100.0 % |
2 / 2 |
| almo_scf_lbfgs_types.F |
|
97.3 % |
72 / 74 |
77.8 % |
7 / 9 |
| almo_scf_methods.F |
|
77.4 % |
786 / 1016 |
80.0 % |
20 / 25 |
| almo_scf_optimizer.F |
|
54.5 % |
1720 / 3155 |
62.9 % |
22 / 35 |
| almo_scf_qs.F |
|
81.3 % |
435 / 535 |
100.0 % |
11 / 11 |
| almo_scf_types.F |
|
95.8 % |
69 / 72 |
22.2 % |
2 / 9 |
| atom.F |
|
86.5 % |
32 / 37 |
100.0 % |
2 / 2 |
| atom_admm_methods.F |
|
74.6 % |
212 / 284 |
100.0 % |
2 / 2 |
| atom_basis.F |
|
97.8 % |
132 / 135 |
100.0 % |
1 / 1 |
| atom_electronic_structure.F |
|
85.4 % |
321 / 376 |
100.0 % |
3 / 3 |
| atom_energy.F |
|
94.3 % |
478 / 507 |
100.0 % |
4 / 4 |
| atom_fit.F |
|
86.6 % |
1011 / 1167 |
93.8 % |
15 / 16 |
| atom_grb.F |
|
98.1 % |
689 / 702 |
88.9 % |
8 / 9 |
| atom_kind_orbitals.F |
|
92.2 % |
614 / 666 |
100.0 % |
6 / 6 |
| atom_operators.F |
|
90.1 % |
602 / 668 |
100.0 % |
11 / 11 |
| atom_optimization.F |
|
94.7 % |
89 / 94 |
66.7 % |
4 / 6 |
| atom_output.F |
|
60.3 % |
260 / 431 |
69.2 % |
9 / 13 |
| atom_pseudo.F |
|
96.9 % |
217 / 224 |
100.0 % |
1 / 1 |
| atom_set_basis.F |
|
81.2 % |
95 / 117 |
50.0 % |
1 / 2 |
| atom_sgp.F |
|
82.6 % |
533 / 645 |
91.7 % |
11 / 12 |
| atom_types.F |
|
62.6 % |
1073 / 1714 |
52.4 % |
22 / 42 |
| atom_upf.F |
|
83.6 % |
331 / 396 |
76.9 % |
10 / 13 |
| atom_utils.F |
|
79.7 % |
949 / 1191 |
89.8 % |
44 / 49 |
| atom_xc.F |
|
65.7 % |
414 / 630 |
70.0 % |
7 / 10 |
| atomic_charges.F |
|
52.0 % |
39 / 75 |
33.3 % |
1 / 3 |
| atoms_input.F |
|
92.2 % |
188 / 204 |
100.0 % |
2 / 2 |
| auto_basis.F |
|
68.1 % |
239 / 351 |
62.5 % |
5 / 8 |
| basis_set_output.F |
|
83.3 % |
65 / 78 |
100.0 % |
2 / 2 |
| beta_gamma_psi.F |
|
3.5 % |
31 / 883 |
12.0 % |
3 / 25 |
| bse_full_diag.F |
|
96.7 % |
232 / 240 |
100.0 % |
6 / 6 |
| bse_iterative.F |
|
0.0 % |
0 / 554 |
0.0 % |
0 / 17 |
| bse_main.F |
|
89.3 % |
50 / 56 |
100.0 % |
1 / 1 |
| bse_print.F |
|
92.0 % |
377 / 410 |
88.9 % |
8 / 9 |
| bse_properties.F |
|
95.5 % |
382 / 400 |
80.0 % |
4 / 5 |
| bse_util.F |
|
84.6 % |
611 / 722 |
93.3 % |
14 / 15 |
| bsse.F |
|
98.7 % |
235 / 238 |
100.0 % |
11 / 11 |
| cell_methods.F |
|
91.4 % |
310 / 339 |
100.0 % |
11 / 11 |
| colvar_methods.F |
|
80.9 % |
2828 / 3495 |
89.6 % |
43 / 48 |
| colvar_utils.F |
|
82.5 % |
282 / 342 |
88.9 % |
8 / 9 |
| commutator_rkinetic.F |
|
0.0 % |
0 / 63 |
0.0 % |
0 / 2 |
| commutator_rpnl.F |
|
50.3 % |
100 / 199 |
50.0 % |
2 / 4 |
| constraint.F |
|
90.9 % |
291 / 320 |
100.0 % |
10 / 10 |
| constraint_3x3.F |
|
95.5 % |
336 / 352 |
83.3 % |
10 / 12 |
| constraint_4x6.F |
|
97.3 % |
572 / 588 |
83.3 % |
10 / 12 |
| constraint_clv.F |
|
94.4 % |
234 / 248 |
88.9 % |
16 / 18 |
| constraint_fxd.F |
|
85.9 % |
207 / 241 |
100.0 % |
6 / 6 |
| constraint_util.F |
|
99.2 % |
264 / 266 |
100.0 % |
9 / 9 |
| constraint_vsite.F |
|
71.1 % |
64 / 90 |
66.7 % |
4 / 6 |
| core_ae.F |
|
95.8 % |
138 / 144 |
100.0 % |
3 / 3 |
| core_ppl.F |
|
96.6 % |
112 / 116 |
100.0 % |
2 / 2 |
| core_ppnl.F |
|
98.3 % |
118 / 120 |
100.0 % |
1 / 1 |
| cp2k_debug.F |
|
92.4 % |
244 / 264 |
100.0 % |
2 / 2 |
| cp2k_info.F |
|
73.1 % |
57 / 78 |
75.0 % |
3 / 4 |
| cp_control_types.F |
|
97.0 % |
196 / 202 |
45.5 % |
25 / 55 |
| cp_control_utils.F |
|
88.7 % |
1347 / 1519 |
100.0 % |
13 / 13 |
| cp_dbcsr_cholesky.F |
|
90.5 % |
67 / 74 |
100.0 % |
3 / 3 |
| cp_dbcsr_cp2k_link.F |
|
71.7 % |
210 / 293 |
75.0 % |
3 / 4 |
| cp_dbcsr_diag.F |
|
71.6 % |
68 / 95 |
75.0 % |
3 / 4 |
| cp_dbcsr_operations.F |
|
79.6 % |
360 / 452 |
75.0 % |
21 / 28 |
| cp_dbcsr_output.F |
|
77.3 % |
194 / 251 |
83.3 % |
5 / 6 |
| cp_ddapc.F |
|
91.5 % |
162 / 177 |
100.0 % |
4 / 4 |
| cp_ddapc_forces.F |
|
93.4 % |
239 / 256 |
100.0 % |
6 / 6 |
| cp_ddapc_methods.F |
|
92.8 % |
412 / 444 |
100.0 % |
10 / 10 |
| cp_ddapc_types.F |
|
96.3 % |
158 / 164 |
71.4 % |
5 / 7 |
| cp_ddapc_util.F |
|
68.2 % |
264 / 387 |
57.1 % |
4 / 7 |
| cp_eri_mme_interface.F |
|
99.0 % |
302 / 305 |
83.3 % |
10 / 12 |
| cp_external_control.F |
|
64.1 % |
50 / 78 |
100.0 % |
2 / 2 |
| cp_realspace_grid_cube.F |
|
92.3 % |
24 / 26 |
100.0 % |
3 / 3 |
| cp_realspace_grid_init.F |
|
100.0 % |
19 / 19 |
100.0 % |
1 / 1 |
| cp_subsys_methods.F |
|
94.5 % |
120 / 127 |
100.0 % |
3 / 3 |
| cp_symmetry.F |
|
96.9 % |
62 / 64 |
100.0 % |
1 / 1 |
| cryssym.F |
|
63.1 % |
176 / 279 |
63.6 % |
7 / 11 |
| csvr_system_types.F |
|
97.7 % |
42 / 43 |
66.7 % |
4 / 6 |
| csvr_system_utils.F |
|
100.0 % |
18 / 18 |
100.0 % |
2 / 2 |
| ct_methods.F |
|
0.0 % |
0 / 549 |
0.0 % |
0 / 9 |
| ct_types.F |
|
0.0 % |
0 / 126 |
0.0 % |
0 / 5 |
| debug_os_integrals.F |
|
43.3 % |
117 / 270 |
50.0 % |
3 / 6 |
| deepmd_wrapper.F |
|
96.8 % |
30 / 31 |
75.0 % |
3 / 4 |
| dft_plus_u.F |
|
79.1 % |
607 / 767 |
100.0 % |
4 / 4 |
| dgemm_counter_types.F |
|
84.0 % |
21 / 25 |
80.0 % |
4 / 5 |
| distribution_2d_types.F |
|
62.3 % |
147 / 236 |
83.3 % |
5 / 6 |
| distribution_methods.F |
|
92.3 % |
553 / 599 |
100.0 % |
9 / 9 |
| dkh_main.F |
|
41.2 % |
336 / 815 |
56.7 % |
17 / 30 |
| dm_ls_chebyshev.F |
|
99.4 % |
173 / 174 |
100.0 % |
3 / 3 |
| dm_ls_scf.F |
|
92.6 % |
441 / 476 |
100.0 % |
12 / 12 |
| dm_ls_scf_create.F |
|
87.0 % |
187 / 215 |
100.0 % |
2 / 2 |
| dm_ls_scf_curvy.F |
|
97.4 % |
340 / 349 |
100.0 % |
13 / 13 |
| dm_ls_scf_methods.F |
|
93.0 % |
502 / 540 |
100.0 % |
11 / 11 |
| dm_ls_scf_qs.F |
|
85.8 % |
224 / 261 |
91.7 % |
11 / 12 |
| dm_ls_scf_types.F |
|
93.5 % |
29 / 31 |
10.0 % |
1 / 10 |
| domain_submatrix_methods.F |
|
83.6 % |
564 / 675 |
70.0 % |
14 / 20 |
| ec_efield_local.F |
|
96.9 % |
155 / 160 |
100.0 % |
3 / 3 |
| ec_env_types.F |
|
98.2 % |
56 / 57 |
50.0 % |
1 / 2 |
| ec_environment.F |
|
93.6 % |
264 / 282 |
100.0 % |
4 / 4 |
| ec_external.F |
|
70.7 % |
265 / 375 |
75.0 % |
6 / 8 |
| ec_methods.F |
|
82.8 % |
48 / 58 |
100.0 % |
2 / 2 |
| ec_orth_solver.F |
|
93.8 % |
482 / 514 |
100.0 % |
9 / 9 |
| ed_analysis.F |
|
96.3 % |
576 / 598 |
100.0 % |
6 / 6 |
| eeq_data.F |
|
60.0 % |
9 / 15 |
100.0 % |
1 / 1 |
| eeq_input.F |
|
97.2 % |
35 / 36 |
66.7 % |
2 / 3 |
| eeq_method.F |
|
90.5 % |
771 / 852 |
93.3 % |
14 / 15 |
| efield_tb_methods.F |
|
87.1 % |
413 / 474 |
100.0 % |
4 / 4 |
| efield_utils.F |
|
98.8 % |
84 / 85 |
100.0 % |
3 / 3 |
| eip_environment.F |
|
98.3 % |
59 / 60 |
100.0 % |
3 / 3 |
| eip_environment_types.F |
|
77.9 % |
81 / 104 |
83.3 % |
5 / 6 |
| eip_silicon.F |
|
40.5 % |
598 / 1475 |
26.7 % |
4 / 15 |
| embed_environment.F |
|
100.0 % |
37 / 37 |
100.0 % |
2 / 2 |
| embed_main.F |
|
86.2 % |
50 / 58 |
100.0 % |
1 / 1 |
| embed_types.F |
|
78.1 % |
57 / 73 |
44.4 % |
4 / 9 |
| energy_corrections.F |
|
78.9 % |
1238 / 1570 |
95.7 % |
22 / 23 |
| environment.F |
|
87.9 % |
493 / 561 |
100.0 % |
14 / 14 |
| et_coupling.F |
|
0.0 % |
0 / 102 |
0.0 % |
0 / 1 |
| et_coupling_proj.F |
|
76.8 % |
473 / 616 |
75.0 % |
15 / 20 |
| et_coupling_types.F |
|
75.0 % |
15 / 20 |
60.0 % |
3 / 5 |
| ewald_environment_types.F |
|
98.1 % |
203 / 207 |
87.5 % |
7 / 8 |
| ewald_methods_tb.F |
|
100.0 % |
206 / 206 |
100.0 % |
3 / 3 |
| ewald_pw_methods.F |
|
87.0 % |
47 / 54 |
100.0 % |
2 / 2 |
| ewald_pw_types.F |
|
92.8 % |
129 / 139 |
83.3 % |
5 / 6 |
| ewald_spline_util.F |
|
97.8 % |
178 / 182 |
100.0 % |
3 / 3 |
| ewalds.F |
|
97.6 % |
165 / 169 |
100.0 % |
4 / 4 |
| ewalds_multipole.F |
|
52.1 % |
501 / 961 |
53.3 % |
8 / 15 |
| ex_property_calculation.F |
|
96.3 % |
104 / 108 |
100.0 % |
1 / 1 |
| excited_states.F |
|
96.0 % |
48 / 50 |
100.0 % |
1 / 1 |
| exclusion_types.F |
|
92.9 % |
13 / 14 |
50.0 % |
1 / 2 |
| exstates_types.F |
|
93.3 % |
70 / 75 |
66.7 % |
4 / 6 |
| extended_system_types.F |
|
97.8 % |
44 / 45 |
44.4 % |
4 / 9 |
| external_potential_methods.F |
|
100.0 % |
54 / 54 |
100.0 % |
1 / 1 |
| f77_interface.F |
|
79.0 % |
410 / 519 |
72.4 % |
21 / 29 |
| farming_methods.F |
|
78.0 % |
103 / 132 |
100.0 % |
2 / 2 |
| farming_types.F |
|
97.1 % |
34 / 35 |
66.7 % |
4 / 6 |
| fermi_utils.F |
|
80.4 % |
135 / 168 |
83.3 % |
5 / 6 |
| fist_efield_methods.F |
|
91.2 % |
124 / 136 |
100.0 % |
2 / 2 |
| fist_efield_types.F |
|
92.9 % |
13 / 14 |
50.0 % |
1 / 2 |
| fist_energy_types.F |
|
87.5 % |
21 / 24 |
75.0 % |
3 / 4 |
| fist_environment.F |
|
100.0 % |
89 / 89 |
100.0 % |
2 / 2 |
| fist_environment_types.F |
|
80.8 % |
101 / 125 |
83.3 % |
5 / 6 |
| fist_force.F |
|
84.6 % |
362 / 428 |
66.7 % |
2 / 3 |
| fist_intra_force.F |
|
87.9 % |
269 / 306 |
100.0 % |
1 / 1 |
| fist_main.F |
|
85.7 % |
12 / 14 |
100.0 % |
1 / 1 |
| fist_neighbor_list_control.F |
|
98.1 % |
104 / 106 |
100.0 % |
1 / 1 |
| fist_neighbor_list_types.F |
|
98.6 % |
144 / 146 |
60.0 % |
3 / 5 |
| fist_neighbor_lists.F |
|
99.0 % |
388 / 392 |
80.0 % |
4 / 5 |
| fist_nonbond_env_types.F |
|
94.4 % |
220 / 233 |
35.7 % |
5 / 14 |
| fist_nonbond_force.F |
|
95.7 % |
246 / 257 |
100.0 % |
5 / 5 |
| fist_pol_scf.F |
|
80.4 % |
193 / 240 |
100.0 % |
4 / 4 |
| force_env_methods.F |
|
90.7 % |
790 / 871 |
90.0 % |
9 / 10 |
| force_env_types.F |
|
89.7 % |
209 / 233 |
75.0 % |
9 / 12 |
| force_env_utils.F |
|
86.6 % |
181 / 209 |
100.0 % |
5 / 5 |
| force_field_types.F |
|
99.3 % |
434 / 437 |
66.7 % |
10 / 15 |
| force_fields.F |
|
96.1 % |
74 / 77 |
100.0 % |
2 / 2 |
| force_fields_all.F |
|
92.7 % |
1518 / 1638 |
100.0 % |
25 / 25 |
| force_fields_ext.F |
|
99.0 % |
483 / 488 |
100.0 % |
4 / 4 |
| force_fields_input.F |
|
92.0 % |
1331 / 1447 |
90.5 % |
38 / 42 |
| force_fields_util.F |
|
98.9 % |
690 / 698 |
100.0 % |
5 / 5 |
| fp_methods.F |
|
88.7 % |
86 / 97 |
100.0 % |
2 / 2 |
| fp_types.F |
|
96.4 % |
53 / 55 |
80.0 % |
4 / 5 |
| free_energy_types.F |
|
87.0 % |
47 / 54 |
33.3 % |
2 / 6 |
| gapw_1c_basis_set.F |
|
99.0 % |
102 / 103 |
100.0 % |
1 / 1 |
| generic_os_integrals.F |
|
99.1 % |
441 / 445 |
100.0 % |
7 / 7 |
| gle_system_types.F |
|
81.9 % |
86 / 105 |
60.0 % |
3 / 5 |
| global_types.F |
|
95.7 % |
22 / 23 |
60.0 % |
3 / 5 |
| graphcon.F |
|
97.3 % |
214 / 220 |
66.7 % |
8 / 12 |
| group_dist_types.F |
|
68.8 % |
55 / 80 |
57.1 % |
8 / 14 |
| grrm_utils.F |
|
84.3 % |
43 / 51 |
100.0 % |
1 / 1 |
| gw_communication.F |
|
97.2 % |
375 / 386 |
88.9 % |
8 / 9 |
| gw_integrals.F |
|
96.3 % |
184 / 191 |
100.0 % |
1 / 1 |
| gw_kp_to_real_space_and_back.F |
|
88.2 % |
60 / 68 |
85.7 % |
6 / 7 |
| gw_large_cell_gamma.F |
|
92.7 % |
686 / 740 |
97.5 % |
39 / 40 |
| gw_main.F |
|
100.0 % |
8 / 8 |
100.0 % |
1 / 1 |
| gw_small_cell_full_kp.F |
|
99.6 % |
484 / 486 |
100.0 % |
22 / 22 |
| gw_utils.F |
|
92.3 % |
1194 / 1293 |
93.6 % |
44 / 47 |
| gx_ac_unittest.F |
|
100.0 % |
19 / 19 |
100.0 % |
1 / 1 |
| hairy_probes.F |
|
55.2 % |
132 / 239 |
83.3 % |
5 / 6 |
| hartree_local_methods.F |
|
100.0 % |
274 / 274 |
100.0 % |
6 / 6 |
| hartree_local_types.F |
|
84.1 % |
37 / 44 |
66.7 % |
6 / 9 |
| hdf5_wrapper.F |
|
0.0 % |
0 / 251 |
0.0 % |
0 / 19 |
| header.F |
|
100.0 % |
260 / 260 |
100.0 % |
18 / 18 |
| hfx_admm_utils.F |
|
85.5 % |
901 / 1054 |
100.0 % |
11 / 11 |
| hfx_communication.F |
|
94.5 % |
241 / 255 |
80.0 % |
4 / 5 |
| hfx_compression_methods.F |
|
100.0 % |
135 / 135 |
100.0 % |
9 / 9 |
| hfx_derivatives.F |
|
97.2 % |
277 / 285 |
100.0 % |
6 / 6 |
| hfx_energy_potential.F |
|
88.6 % |
358 / 404 |
83.3 % |
5 / 6 |
| hfx_exx.F |
|
94.0 % |
283 / 301 |
100.0 % |
7 / 7 |
| hfx_get_pmax_val.fypp |
|
23.9 % |
39 / 163 |
100.0 % |
3 / 3 |
| hfx_helpers.F |
|
100.0 % |
20 / 20 |
100.0 % |
2 / 2 |
| hfx_libint_interface.F |
|
96.7 % |
951 / 983 |
100.0 % |
6 / 6 |
| hfx_load_balance_methods.F |
|
68.1 % |
712 / 1046 |
64.3 % |
9 / 14 |
| hfx_pair_list_methods.F |
|
96.7 % |
326 / 337 |
100.0 % |
5 / 5 |
| hfx_pw_methods.F |
|
98.9 % |
94 / 95 |
100.0 % |
1 / 1 |
| hfx_ri.F |
|
80.5 % |
1536 / 1907 |
69.6 % |
16 / 23 |
| hfx_ri_kp.F |
|
98.6 % |
2161 / 2191 |
95.0 % |
38 / 40 |
| hfx_screening_methods.F |
|
99.5 % |
406 / 408 |
100.0 % |
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| qs_matrix_pools.F |
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| qs_mixing_utils.F |
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| qs_mo_io.F |
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| qs_mo_methods.F |
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|
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58.3 % |
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100.0 % |
6 / 6 |
| voronoi_interface.F |
|
90.2 % |
277 / 307 |
100.0 % |
3 / 3 |
| wannier90.F |
|
0.0 % |
0 / 477 |
0.0 % |
0 / 9 |
| wannier_states.F |
|
64.9 % |
113 / 174 |
100.0 % |
1 / 1 |
| xas_control.F |
|
96.8 % |
92 / 95 |
80.0 % |
4 / 5 |
| xas_env_types.F |
|
90.8 % |
108 / 119 |
80.0 % |
4 / 5 |
| xas_methods.F |
|
90.9 % |
708 / 779 |
100.0 % |
9 / 9 |
| xas_restart.F |
|
94.5 % |
173 / 183 |
100.0 % |
4 / 4 |
| xas_tdp_atom.F |
|
96.2 % |
1090 / 1133 |
95.0 % |
19 / 20 |
| xas_tdp_correction.F |
|
99.1 % |
655 / 661 |
100.0 % |
11 / 11 |
| xas_tdp_integrals.F |
|
97.6 % |
522 / 535 |
100.0 % |
10 / 10 |
| xas_tdp_kernel.F |
|
87.2 % |
381 / 437 |
93.3 % |
14 / 15 |
| xas_tdp_methods.F |
|
85.3 % |
1298 / 1522 |
92.0 % |
23 / 25 |
| xas_tdp_types.F |
|
89.2 % |
455 / 510 |
65.2 % |
15 / 23 |
| xas_tdp_utils.F |
|
93.2 % |
1226 / 1316 |
89.5 % |
17 / 19 |
| xas_tp_scf.F |
|
81.6 % |
213 / 261 |
100.0 % |
3 / 3 |
| xc_adiabatic_methods.F |
|
86.4 % |
38 / 44 |
100.0 % |
1 / 1 |
| xc_adiabatic_utils.F |
|
89.4 % |
42 / 47 |
100.0 % |
1 / 1 |
| xc_pot_saop.F |
|
43.2 % |
234 / 542 |
87.5 % |
7 / 8 |
| xc_write_output.F |
|
100.0 % |
22 / 22 |
100.0 % |
1 / 1 |
| xray_diffraction.F |
|
99.3 % |
436 / 439 |
100.0 % |
3 / 3 |
| xtb_coulomb.F |
|
98.6 % |
480 / 487 |
100.0 % |
4 / 4 |
| xtb_eeq.F |
|
94.3 % |
249 / 264 |
100.0 % |
3 / 3 |
| xtb_ehess.F |
|
95.4 % |
144 / 151 |
100.0 % |
2 / 2 |
| xtb_ehess_force.F |
|
92.2 % |
236 / 256 |
100.0 % |
2 / 2 |
| xtb_hab_force.F |
|
100.0 % |
252 / 252 |
100.0 % |
1 / 1 |
| xtb_hcore.F |
|
97.9 % |
184 / 188 |
100.0 % |
4 / 4 |
| xtb_ks_matrix.F |
|
74.5 % |
143 / 192 |
100.0 % |
3 / 3 |
| xtb_matrices.F |
|
96.9 % |
723 / 746 |
100.0 % |
4 / 4 |
| xtb_parameters.F |
|
88.1 % |
245 / 278 |
100.0 % |
10 / 10 |
| xtb_potentials.F |
|
97.1 % |
409 / 421 |
88.9 % |
8 / 9 |
| xtb_qresp.F |
|
93.7 % |
164 / 175 |
100.0 % |
2 / 2 |
| xtb_types.F |
|
78.9 % |
116 / 147 |
83.3 % |
5 / 6 |
