| eminus / __init__.py |
demo |
|
3 |
0 |
0 |
|
100.00% |
| eminus / __init__.py |
(no function) |
|
9 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.__init__ |
|
15 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.atom |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.atom |
|
10 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.pos |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.pos |
|
5 |
2 |
0 |
|
60.00% |
| eminus / atoms.py |
Atoms.ecut |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.ecut |
|
5 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.a |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.a |
|
9 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.spin |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.spin |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.charge |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.charge |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.unrestricted |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.unrestricted |
|
3 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.center |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.center |
|
15 |
1 |
0 |
|
93.33% |
| eminus / atoms.py |
Atoms.verbose |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.verbose |
|
4 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.f |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.f |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.s |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.s |
|
5 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.Z |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.Z |
|
14 |
2 |
0 |
|
85.71% |
| eminus / atoms.py |
Atoms.Natoms |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.Ns |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.Omega |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.r |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.active |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.G |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.G2 |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.G2c |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.Gk2 |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.Gk2c |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.Sf |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.dV |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms._atoms |
|
1 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.build |
|
6 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.recenter |
|
9 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.set_k |
|
10 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.clear |
|
10 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms._get_index_matrices |
|
3 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms._sample_unit_cell |
|
12 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
Atoms.__repr__ |
|
4 |
0 |
0 |
|
100.00% |
| eminus / atoms.py |
(no function) |
|
104 |
0 |
0 |
|
100.00% |
| eminus / backend.py |
__getattr__ |
|
4 |
1 |
0 |
|
75.00% |
| eminus / backend.py |
is_array |
|
6 |
2 |
0 |
|
66.67% |
| eminus / backend.py |
to_np |
|
9 |
5 |
0 |
|
44.44% |
| eminus / backend.py |
delete |
|
11 |
9 |
0 |
|
18.18% |
| eminus / backend.py |
fftn |
|
5 |
3 |
0 |
|
40.00% |
| eminus / backend.py |
ifftn |
|
5 |
3 |
0 |
|
40.00% |
| eminus / backend.py |
sqrtm |
|
5 |
3 |
0 |
|
40.00% |
| eminus / backend.py |
(no function) |
|
13 |
0 |
0 |
|
100.00% |
| eminus / band_minimizer.py |
scf_step_occ |
|
3 |
0 |
0 |
|
100.00% |
| eminus / band_minimizer.py |
scf_step_unocc |
|
3 |
0 |
0 |
|
100.00% |
| eminus / band_minimizer.py |
get_grad_occ |
|
9 |
0 |
0 |
|
100.00% |
| eminus / band_minimizer.py |
get_grad_unocc |
|
13 |
0 |
0 |
|
100.00% |
| eminus / band_minimizer.py |
sd |
|
12 |
0 |
0 |
|
100.00% |
| eminus / band_minimizer.py |
pclm |
|
25 |
0 |
0 |
|
100.00% |
| eminus / band_minimizer.py |
lm |
|
1 |
0 |
0 |
|
100.00% |
| eminus / band_minimizer.py |
pccg |
|
46 |
1 |
0 |
|
97.83% |
| eminus / band_minimizer.py |
cg |
|
1 |
0 |
0 |
|
100.00% |
| eminus / band_minimizer.py |
auto |
|
51 |
1 |
0 |
|
98.04% |
| eminus / band_minimizer.py |
(no function) |
|
25 |
0 |
0 |
|
100.00% |
| eminus / cell.py |
Cell |
|
28 |
0 |
0 |
|
100.00% |
| eminus / cell.py |
(no function) |
|
6 |
0 |
0 |
|
100.00% |
| eminus / config.py |
ConfigClass.__init__ |
|
5 |
0 |
0 |
|
100.00% |
| eminus / config.py |
ConfigClass.backend |
|
1 |
0 |
0 |
|
100.00% |
| eminus / config.py |
ConfigClass.backend |
|
8 |
1 |
0 |
|
87.50% |
| eminus / config.py |
ConfigClass.use_gpu |
|
1 |
0 |
0 |
|
100.00% |
| eminus / config.py |
ConfigClass.use_gpu |
|
10 |
8 |
0 |
|
20.00% |
| eminus / config.py |
ConfigClass.use_pylibxc |
|
7 |
1 |
0 |
|
85.71% |
| eminus / config.py |
ConfigClass.use_pylibxc |
|
1 |
0 |
0 |
|
100.00% |
| eminus / config.py |
ConfigClass.threads |
|
9 |
2 |
0 |
|
77.78% |
| eminus / config.py |
ConfigClass.threads |
|
7 |
2 |
0 |
|
71.43% |
| eminus / config.py |
ConfigClass.verbose |
|
1 |
0 |
0 |
|
100.00% |
| eminus / config.py |
ConfigClass.verbose |
|
1 |
0 |
0 |
|
100.00% |
| eminus / config.py |
ConfigClass.info |
|
15 |
5 |
0 |
|
66.67% |
| eminus / config.py |
(no function) |
|
30 |
0 |
9 |
|
100.00% |
| eminus / data.py |
(no function) |
|
7 |
0 |
0 |
|
100.00% |
| eminus / dft.py |
get_phi |
|
1 |
0 |
0 |
|
100.00% |
| eminus / dft.py |
orth |
|
1 |
0 |
0 |
|
100.00% |
| eminus / dft.py |
orth_unocc |
|
7 |
0 |
0 |
|
100.00% |
| eminus / dft.py |
get_n_total |
|
8 |
0 |
0 |
|
100.00% |
| eminus / dft.py |
get_n_spin |
|
5 |
0 |
0 |
|
100.00% |
| eminus / dft.py |
get_n_single |
|
5 |
0 |
0 |
|
100.00% |
| eminus / dft.py |
get_grad |
|
11 |
0 |
0 |
|
100.00% |
| eminus / dft.py |
H |
|
11 |
0 |
0 |
|
100.00% |
| eminus / dft.py |
H_precompute |
|
13 |
0 |
0 |
|
100.00% |
| eminus / dft.py |
Q |
|
6 |
0 |
0 |
|
100.00% |
| eminus / dft.py |
get_psi |
|
12 |
2 |
0 |
|
83.33% |
| eminus / dft.py |
get_epsilon |
|
11 |
2 |
0 |
|
81.82% |
| eminus / dft.py |
get_epsilon_unocc |
|
12 |
2 |
0 |
|
83.33% |
| eminus / dft.py |
guess_random |
|
12 |
0 |
0 |
|
100.00% |
| eminus / dft.py |
guess_pseudo |
|
11 |
0 |
0 |
|
100.00% |
| eminus / dft.py |
(no function) |
|
27 |
0 |
0 |
|
100.00% |
| eminus / domains.py |
domain_cuboid |
|
18 |
0 |
0 |
|
100.00% |
| eminus / domains.py |
domain_isovalue |
|
4 |
2 |
0 |
|
50.00% |
| eminus / domains.py |
domain_sphere |
|
11 |
0 |
0 |
|
100.00% |
| eminus / domains.py |
truncate |
|
3 |
0 |
0 |
|
100.00% |
| eminus / domains.py |
(no function) |
|
9 |
0 |
0 |
|
100.00% |
| eminus / energies.py |
Energy.Etot |
|
1 |
0 |
0 |
|
100.00% |
| eminus / energies.py |
Energy.extrapolate |
|
1 |
0 |
0 |
|
100.00% |
| eminus / energies.py |
Energy.__repr__ |
|
6 |
0 |
0 |
|
100.00% |
| eminus / energies.py |
get_E |
|
6 |
0 |
0 |
|
100.00% |
| eminus / energies.py |
get_Ekin |
|
4 |
0 |
0 |
|
100.00% |
| eminus / energies.py |
get_Ecoul |
|
3 |
0 |
0 |
|
100.00% |
| eminus / energies.py |
get_Exc |
|
4 |
0 |
0 |
|
100.00% |
| eminus / energies.py |
get_Eloc |
|
1 |
0 |
0 |
|
100.00% |
| eminus / energies.py |
get_Enonloc |
|
19 |
0 |
0 |
|
100.00% |
| eminus / energies.py |
get_Eewald |
|
32 |
1 |
0 |
|
96.88% |
| eminus / energies.py |
get_Eewald.get_index_vectors |
|
5 |
0 |
0 |
|
100.00% |
| eminus / energies.py |
get_Esic |
|
29 |
2 |
0 |
|
93.10% |
| eminus / energies.py |
get_Edisp |
|
5 |
5 |
0 |
|
0.00% |
| eminus / energies.py |
get_Eband |
|
6 |
0 |
0 |
|
100.00% |
| eminus / energies.py |
get_Eentropy |
|
9 |
0 |
0 |
|
100.00% |
| eminus / energies.py |
(no function) |
|
40 |
0 |
0 |
|
100.00% |
| eminus / gga.py |
get_grad_field |
|
8 |
0 |
0 |
|
100.00% |
| eminus / gga.py |
gradient_correction |
|
9 |
0 |
0 |
|
100.00% |
| eminus / gga.py |
get_tau |
|
5 |
0 |
0 |
|
100.00% |
| eminus / gga.py |
calc_Vtau |
|
13 |
0 |
0 |
|
100.00% |
| eminus / gga.py |
(no function) |
|
7 |
0 |
0 |
|
100.00% |
| eminus / gth.py |
GTH.__init__ |
|
14 |
0 |
0 |
|
100.00% |
| eminus / gth.py |
GTH.__getitem__ |
|
1 |
0 |
0 |
|
100.00% |
| eminus / gth.py |
GTH.__repr__ |
|
1 |
0 |
0 |
|
100.00% |
| eminus / gth.py |
init_gth_loc |
|
24 |
0 |
0 |
|
100.00% |
| eminus / gth.py |
init_gth_nonloc |
|
26 |
0 |
0 |
|
100.00% |
| eminus / gth.py |
calc_Vnonloc |
|
16 |
0 |
0 |
|
100.00% |
| eminus / gth.py |
eval_proj_G |
|
27 |
2 |
0 |
|
92.59% |
| eminus / gth.py |
(no function) |
|
13 |
0 |
0 |
|
100.00% |
| eminus / io / __init__.py |
read |
|
15 |
4 |
0 |
|
73.33% |
| eminus / io / __init__.py |
write |
|
17 |
4 |
0 |
|
76.47% |
| eminus / io / __init__.py |
(no function) |
|
10 |
0 |
0 |
|
100.00% |
| eminus / io / cube.py |
read_cube |
|
30 |
0 |
0 |
|
100.00% |
| eminus / io / cube.py |
write_cube |
|
23 |
3 |
0 |
|
86.96% |
| eminus / io / cube.py |
(no function) |
|
9 |
0 |
0 |
|
100.00% |
| eminus / io / gth.py |
read_gth |
|
50 |
1 |
0 |
|
98.00% |
| eminus / io / gth.py |
mock_gth |
|
1 |
0 |
0 |
|
100.00% |
| eminus / io / gth.py |
(no function) |
|
6 |
0 |
0 |
|
100.00% |
| eminus / io / json.py |
_custom_object_hook |
|
27 |
0 |
0 |
|
100.00% |
| eminus / io / json.py |
_custom_object_hook.set_attrs |
|
5 |
0 |
0 |
|
100.00% |
| eminus / io / json.py |
read_json |
|
4 |
0 |
0 |
|
100.00% |
| eminus / io / json.py |
write_json |
|
7 |
0 |
0 |
|
100.00% |
| eminus / io / json.py |
write_json._CustomEncoder.default |
|
10 |
1 |
0 |
|
90.00% |
| eminus / io / json.py |
(no function) |
|
8 |
0 |
0 |
|
100.00% |
| eminus / io / pdb.py |
write_pdb |
|
19 |
1 |
0 |
|
94.74% |
| eminus / io / pdb.py |
create_pdb_str |
|
36 |
0 |
0 |
|
100.00% |
| eminus / io / pdb.py |
(no function) |
|
6 |
0 |
0 |
|
100.00% |
| eminus / io / poscar.py |
read_poscar |
|
30 |
2 |
0 |
|
93.33% |
| eminus / io / poscar.py |
write_poscar |
|
33 |
1 |
0 |
|
96.97% |
| eminus / io / poscar.py |
(no function) |
|
8 |
0 |
0 |
|
100.00% |
| eminus / io / traj.py |
read_traj |
|
20 |
0 |
0 |
|
100.00% |
| eminus / io / traj.py |
write_traj |
|
6 |
0 |
0 |
|
100.00% |
| eminus / io / traj.py |
(no function) |
|
7 |
0 |
0 |
|
100.00% |
| eminus / io / xyz.py |
read_xyz |
|
16 |
0 |
0 |
|
100.00% |
| eminus / io / xyz.py |
write_xyz |
|
20 |
1 |
0 |
|
95.00% |
| eminus / io / xyz.py |
(no function) |
|
8 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.__init__ |
|
12 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.kmesh |
|
1 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.kmesh |
|
7 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.wk |
|
1 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.wk |
|
3 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.k |
|
1 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.k |
|
2 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.Nk |
|
1 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.Nk |
|
2 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.kshift |
|
1 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.kshift |
|
2 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.gamma_centered |
|
1 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.gamma_centered |
|
3 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.path |
|
1 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.path |
|
5 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.k_scaled |
|
1 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.build |
|
13 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints.trs |
|
14 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
KPoints._assert_gamma_only |
|
3 |
2 |
0 |
|
33.33% |
| eminus / kpoints.py |
KPoints.__repr__ |
|
1 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
kpoint_convert |
|
4 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
monkhorst_pack |
|
2 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
gamma_centered |
|
2 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
bandpath |
|
32 |
3 |
0 |
|
90.62% |
| eminus / kpoints.py |
kpoints2axis |
|
22 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
get_brillouin_zone |
|
9 |
0 |
0 |
|
100.00% |
| eminus / kpoints.py |
(no function) |
|
51 |
0 |
0 |
|
100.00% |
| eminus / localizer.py |
eval_psi |
|
3 |
0 |
0 |
|
100.00% |
| eminus / localizer.py |
get_R |
|
7 |
0 |
0 |
|
100.00% |
| eminus / localizer.py |
get_FO |
|
9 |
0 |
0 |
|
100.00% |
| eminus / localizer.py |
get_S |
|
5 |
0 |
0 |
|
100.00% |
| eminus / localizer.py |
get_FLO |
|
8 |
0 |
0 |
|
100.00% |
| eminus / localizer.py |
get_scdm |
|
4 |
0 |
0 |
|
100.00% |
| eminus / localizer.py |
wannier_cost |
|
6 |
0 |
0 |
|
100.00% |
| eminus / localizer.py |
wannier_center |
|
5 |
0 |
0 |
|
100.00% |
| eminus / localizer.py |
second_moment |
|
5 |
0 |
0 |
|
100.00% |
| eminus / localizer.py |
wannier_supercell_matrices |
|
4 |
0 |
0 |
|
100.00% |
| eminus / localizer.py |
wannier_supercell_cost |
|
4 |
0 |
0 |
|
100.00% |
| eminus / localizer.py |
wannier_supercell_grad |
|
9 |
0 |
0 |
|
100.00% |
| eminus / localizer.py |
get_wannier |
|
31 |
1 |
0 |
|
96.77% |
| eminus / localizer.py |
(no function) |
|
36 |
0 |
0 |
|
100.00% |
| eminus / logger.py |
CustomLogger.__init__ |
|
1 |
0 |
0 |
|
100.00% |
| eminus / logger.py |
CustomLogger.verbose |
|
1 |
0 |
0 |
|
100.00% |
| eminus / logger.py |
CustomLogger.verbose |
|
2 |
0 |
0 |
|
100.00% |
| eminus / logger.py |
CustomFormatter.format |
|
4 |
0 |
0 |
|
100.00% |
| eminus / logger.py |
create_logger |
|
3 |
0 |
0 |
|
100.00% |
| eminus / logger.py |
get_level |
|
11 |
2 |
0 |
|
81.82% |
| eminus / logger.py |
name |
|
2 |
0 |
0 |
|
100.00% |
| eminus / logger.py |
name.decorator |
|
2 |
0 |
0 |
|
100.00% |
| eminus / logger.py |
(no function) |
|
19 |
0 |
0 |
|
100.00% |
| eminus / minimizer.py |
scf_step |
|
7 |
0 |
0 |
|
100.00% |
| eminus / minimizer.py |
check_convergence |
|
13 |
1 |
0 |
|
92.31% |
| eminus / minimizer.py |
print_scf_step |
|
31 |
0 |
0 |
|
100.00% |
| eminus / minimizer.py |
linmin_test |
|
1 |
0 |
0 |
|
100.00% |
| eminus / minimizer.py |
cg_test |
|
4 |
0 |
0 |
|
100.00% |
| eminus / minimizer.py |
cg_method |
|
15 |
2 |
0 |
|
86.67% |
| eminus / minimizer.py |
sd |
|
12 |
0 |
0 |
|
100.00% |
| eminus / minimizer.py |
pclm |
|
30 |
0 |
0 |
|
100.00% |
| eminus / minimizer.py |
lm |
|
1 |
0 |
0 |
|
100.00% |
| eminus / minimizer.py |
pccg |
|
55 |
0 |
0 |
|
100.00% |
| eminus / minimizer.py |
cg |
|
1 |
0 |
0 |
|
100.00% |
| eminus / minimizer.py |
auto |
|
56 |
1 |
0 |
|
98.21% |
| eminus / minimizer.py |
(no function) |
|
27 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.Nelec |
|
1 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.Nelec |
|
3 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.Nspin |
|
1 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.Nspin |
|
10 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.spin |
|
1 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.spin |
|
9 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.charge |
|
1 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.charge |
|
5 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.f |
|
1 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.f |
|
4 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.Nk |
|
1 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.Nk |
|
2 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.wk |
|
1 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.wk |
|
3 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.bands |
|
1 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.bands |
|
2 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.smearing |
|
1 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.smearing |
|
6 |
2 |
0 |
|
66.67% |
| eminus / occupations.py |
Occupations.magnetization |
|
6 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.magnetization |
|
5 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.multiplicity |
|
1 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.Nstate |
|
1 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.Nempty |
|
1 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.F |
|
1 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.fill |
|
7 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations._update_from_fillings |
|
18 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations._integer_fillings |
|
28 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations._fractional_fillings |
|
33 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.__repr__ |
|
1 |
0 |
0 |
|
100.00% |
| eminus / occupations.py |
Occupations.smear |
|
6 |
2 |
0 |
|
66.67% |
| eminus / occupations.py |
(no function) |
|
72 |
0 |
0 |
|
100.00% |
| eminus / operators.py |
O |
|
1 |
0 |
0 |
|
100.00% |
| eminus / operators.py |
L |
|
4 |
0 |
0 |
|
100.00% |
| eminus / operators.py |
Linv |
|
8 |
0 |
0 |
|
100.00% |
| eminus / operators.py |
I |
|
20 |
0 |
0 |
|
100.00% |
| eminus / operators.py |
J |
|
13 |
0 |
0 |
|
100.00% |
| eminus / operators.py |
Idag |
|
1 |
0 |
0 |
|
100.00% |
| eminus / operators.py |
Jdag |
|
1 |
0 |
0 |
|
100.00% |
| eminus / operators.py |
K |
|
1 |
0 |
0 |
|
100.00% |
| eminus / operators.py |
T |
|
18 |
0 |
0 |
|
100.00% |
| eminus / operators.py |
(no function) |
|
21 |
0 |
0 |
|
100.00% |
| eminus / orbitals.py |
KSO |
|
5 |
0 |
0 |
|
100.00% |
| eminus / orbitals.py |
FO |
|
13 |
0 |
0 |
|
100.00% |
| eminus / orbitals.py |
FLO |
|
14 |
0 |
0 |
|
100.00% |
| eminus / orbitals.py |
WO |
|
8 |
0 |
0 |
|
100.00% |
| eminus / orbitals.py |
SCDM |
|
6 |
0 |
0 |
|
100.00% |
| eminus / orbitals.py |
cube_writer |
|
14 |
1 |
0 |
|
92.86% |
| eminus / orbitals.py |
(no function) |
|
11 |
0 |
0 |
|
100.00% |
| eminus / potentials.py |
get_pot_defaults |
|
4 |
1 |
0 |
|
75.00% |
| eminus / potentials.py |
harmonic |
|
4 |
0 |
0 |
|
100.00% |
| eminus / potentials.py |
coulomb |
|
13 |
0 |
0 |
|
100.00% |
| eminus / potentials.py |
coulomb_lr |
|
13 |
0 |
0 |
|
100.00% |
| eminus / potentials.py |
ge |
|
14 |
0 |
0 |
|
100.00% |
| eminus / potentials.py |
init_pot |
|
8 |
3 |
0 |
|
62.50% |
| eminus / potentials.py |
(no function) |
|
13 |
0 |
0 |
|
100.00% |
| eminus / psp / __init__.py |
(no function) |
|
0 |
0 |
0 |
|
100.00% |
| eminus / psp / pade / __init__.py |
(no function) |
|
0 |
0 |
0 |
|
100.00% |
| eminus / psp / pbe / __init__.py |
(no function) |
|
0 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.__init__ |
|
20 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.atoms |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.atoms |
|
3 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.xc |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.xc |
|
4 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.xc_params |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.xc_params |
|
5 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.pot |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.pot |
|
12 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.pot_params |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.pot_params |
|
7 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.guess |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.guess |
|
10 |
2 |
0 |
|
80.00% |
| eminus / scf.py |
SCF.opt |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.opt |
|
6 |
2 |
0 |
|
66.67% |
| eminus / scf.py |
SCF.verbose |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.verbose |
|
4 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.kpts |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.pot_params_defaults |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.psp |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.symmetric |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.xc_type |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.xc_params_defaults |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.run |
|
47 |
3 |
0 |
|
93.62% |
| eminus / scf.py |
SCF.converge_bands |
|
38 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.converge_empty_bands |
|
35 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.recenter |
|
18 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.clear |
|
15 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.callback |
|
0 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF._precompute |
|
12 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
SCF.__repr__ |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
RSCF.atoms |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
RSCF.atoms |
|
5 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
USCF.atoms |
|
1 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
USCF.atoms |
|
5 |
0 |
0 |
|
100.00% |
| eminus / scf.py |
(no function) |
|
85 |
0 |
0 |
|
100.00% |
| eminus / testing.py |
assert_allclose |
|
1 |
0 |
0 |
|
100.00% |
| eminus / testing.py |
assert_array_equal |
|
1 |
0 |
0 |
|
100.00% |
| eminus / testing.py |
(no function) |
|
4 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
cutoff2gridspacing |
|
1 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
gridspacing2cutoff |
|
1 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
center_of_mass |
|
6 |
2 |
0 |
|
66.67% |
| eminus / tools.py |
orbital_center |
|
10 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
inertia_tensor |
|
10 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
get_dipole |
|
12 |
2 |
0 |
|
83.33% |
| eminus / tools.py |
get_ip |
|
4 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
check_ortho |
|
15 |
2 |
0 |
|
86.67% |
| eminus / tools.py |
check_norm |
|
11 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
check_orthonorm |
|
5 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
get_isovalue |
|
4 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
get_isovalue.deviation |
|
2 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
get_tautf |
|
5 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
get_tauw |
|
9 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
get_elf |
|
4 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
get_reduced_gradient |
|
10 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
get_spin_squared |
|
8 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
get_multiplicity |
|
3 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
get_magnetization |
|
3 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
get_bandgap |
|
6 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
get_Efermi |
|
16 |
1 |
0 |
|
93.75% |
| eminus / tools.py |
get_Efermi.electron_root |
|
4 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
fermi_distribution |
|
5 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
electronic_entropy |
|
6 |
1 |
0 |
|
83.33% |
| eminus / tools.py |
get_dos |
|
9 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
get_dos.delta |
|
1 |
0 |
0 |
|
100.00% |
| eminus / tools.py |
(no function) |
|
36 |
0 |
0 |
|
100.00% |
| eminus / units.py |
ha2ev |
|
1 |
0 |
0 |
|
100.00% |
| eminus / units.py |
ev2ha |
|
1 |
0 |
0 |
|
100.00% |
| eminus / units.py |
ha2kcalmol |
|
1 |
0 |
0 |
|
100.00% |
| eminus / units.py |
kcalmol2ha |
|
1 |
0 |
0 |
|
100.00% |
| eminus / units.py |
ha2ry |
|
1 |
0 |
0 |
|
100.00% |
| eminus / units.py |
ry2ha |
|
1 |
0 |
0 |
|
100.00% |
| eminus / units.py |
ha2kelvin |
|
1 |
0 |
0 |
|
100.00% |
| eminus / units.py |
kelvin2ha |
|
1 |
0 |
0 |
|
100.00% |
| eminus / units.py |
ang2bohr |
|
1 |
0 |
0 |
|
100.00% |
| eminus / units.py |
bohr2ang |
|
1 |
0 |
0 |
|
100.00% |
| eminus / units.py |
ebohr2d |
|
1 |
0 |
0 |
|
100.00% |
| eminus / units.py |
d2ebohr |
|
1 |
0 |
0 |
|
100.00% |
| eminus / units.py |
rad2deg |
|
1 |
0 |
0 |
|
100.00% |
| eminus / units.py |
deg2rad |
|
1 |
0 |
0 |
|
100.00% |
| eminus / units.py |
(no function) |
|
20 |
0 |
0 |
|
100.00% |
| eminus / utils.py |
BaseObject.view |
|
1 |
1 |
0 |
|
0.00% |
| eminus / utils.py |
BaseObject.write |
|
3 |
0 |
0 |
|
100.00% |
| eminus / utils.py |
dotprod |
|
5 |
0 |
0 |
|
100.00% |
| eminus / utils.py |
Ylm_real |
|
47 |
2 |
0 |
|
95.74% |
| eminus / utils.py |
handle_spin |
|
3 |
0 |
0 |
|
100.00% |
| eminus / utils.py |
handle_spin.decorator |
|
3 |
0 |
0 |
|
100.00% |
| eminus / utils.py |
handle_k |
|
5 |
0 |
0 |
|
100.00% |
| eminus / utils.py |
handle_k.decorator |
|
14 |
0 |
0 |
|
100.00% |
| eminus / utils.py |
pseudo_uniform |
|
10 |
0 |
0 |
|
100.00% |
| eminus / utils.py |
add_maybe_none |
|
7 |
0 |
0 |
|
100.00% |
| eminus / utils.py |
molecule2list |
|
7 |
0 |
0 |
|
100.00% |
| eminus / utils.py |
atom2charge |
|
7 |
0 |
0 |
|
100.00% |
| eminus / utils.py |
vector_angle |
|
5 |
0 |
0 |
|
100.00% |
| eminus / utils.py |
get_lattice |
|
3 |
0 |
0 |
|
100.00% |
| eminus / utils.py |
(no function) |
|
21 |
0 |
0 |
|
100.00% |
| eminus / version.py |
info |
|
11 |
0 |
0 |
|
100.00% |
| eminus / version.py |
(no function) |
|
6 |
0 |
0 |
|
100.00% |
| eminus / xc / __init__.py |
(no function) |
|
2 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_c_chachiyo.py |
gga_c_chachiyo |
|
18 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_c_chachiyo.py |
gga_c_chachiyo_spin |
|
34 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_c_chachiyo.py |
(no function) |
|
5 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_c_pbe.py |
gga_c_pbe |
|
24 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_c_pbe.py |
gga_c_pbe_spin |
|
39 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_c_pbe.py |
(no function) |
|
6 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_c_pbe_sol.py |
gga_c_pbe_sol |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_c_pbe_sol.py |
gga_c_pbe_sol_spin |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_c_pbe_sol.py |
(no function) |
|
3 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_x_chachiyo.py |
gga_x_chachiyo |
|
12 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_x_chachiyo.py |
gga_x_chachiyo_spin |
|
8 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_x_chachiyo.py |
(no function) |
|
5 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_x_pbe.py |
gga_x_pbe |
|
4 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_x_pbe.py |
gga_x_pbe_spin |
|
9 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_x_pbe.py |
pbe_x_base |
|
19 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_x_pbe.py |
(no function) |
|
7 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_x_pbe_sol.py |
gga_x_pbe_sol |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_x_pbe_sol.py |
gga_x_pbe_sol_spin |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / gga_x_pbe_sol.py |
(no function) |
|
3 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_chachiyo.py |
lda_c_chachiyo |
|
8 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_chachiyo.py |
chachiyo_scaling |
|
3 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_chachiyo.py |
lda_c_chachiyo_spin |
|
21 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_chachiyo.py |
(no function) |
|
5 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_chachiyo_mod.py |
lda_c_chachiyo_mod |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_chachiyo_mod.py |
chachiyo_scaling_mod |
|
4 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_chachiyo_mod.py |
lda_c_chachiyo_mod_spin |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_chachiyo_mod.py |
(no function) |
|
4 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_pw.py |
lda_c_pw |
|
10 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_pw.py |
lda_c_pw_spin |
|
21 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_pw.py |
(no function) |
|
4 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_pw_mod.py |
lda_c_pw_mod |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_pw_mod.py |
lda_c_pw_mod_spin |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_pw_mod.py |
(no function) |
|
3 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_vwn.py |
lda_c_vwn |
|
12 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_vwn.py |
lda_c_vwn_spin |
|
20 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_c_vwn.py |
(no function) |
|
4 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_x.py |
lda_x |
|
5 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_x.py |
lda_x_spin |
|
9 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_x.py |
(no function) |
|
4 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_corr_ksdt.py |
lda_xc_corr_ksdt |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_corr_ksdt.py |
(no function) |
|
23 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_gdsmfb.py |
lda_xc_gdsmfb |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_gdsmfb.py |
lda_xc_gdsmfb_spin |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_gdsmfb.py |
(no function) |
|
51 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
Coefficients.a0 |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
Coefficients.b5 |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
Coefficients.a |
|
3 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
Coefficients.dadtheta |
|
5 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
Coefficients.b |
|
3 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
Coefficients.dbdtheta |
|
5 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
Coefficients.c |
|
3 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
Coefficients.dcdtheta |
|
7 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
Coefficients.d |
|
3 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
Coefficients.dddtheta |
|
5 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
Coefficients.e |
|
3 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
Coefficients.dedtheta |
|
5 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
lda_xc_ksdt |
|
3 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
lda_xc_ksdt_spin |
|
39 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_pade |
|
4 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_dpade |
|
6 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_theta |
|
3 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_dthetadn_up |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_theta0 |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_dtheta0dtheta |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_dtheta0dzeta |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_theta1 |
|
2 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_dtheta1dtheta0 |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_fxc_zeta |
|
4 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_dfxc_zetadrs |
|
5 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_dfxc_zetadtheta |
|
5 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_phi |
|
2 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_dphidrs |
|
9 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_dphidtheta |
|
9 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_dphidzeta |
|
5 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_alpha |
|
3 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_dalphadrs |
|
5 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_dalphadtheta |
|
4 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_g |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_dgdrs |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_lambda |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_dlambdadrs |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
_get_dlambdadtheta |
|
1 |
0 |
0 |
|
100.00% |
| eminus / xc / lda_xc_ksdt.py |
(no function) |
|
110 |
0 |
0 |
|
100.00% |
| eminus / xc / utils.py |
get_xc |
|
16 |
0 |
0 |
|
100.00% |
| eminus / xc / utils.py |
get_xc.handle_functional |
|
19 |
0 |
0 |
|
100.00% |
| eminus / xc / utils.py |
get_exc |
|
2 |
0 |
0 |
|
100.00% |
| eminus / xc / utils.py |
get_vxc |
|
2 |
0 |
0 |
|
100.00% |
| eminus / xc / utils.py |
parse_functionals |
|
20 |
3 |
0 |
|
85.00% |
| eminus / xc / utils.py |
parse_xc_type |
|
25 |
2 |
0 |
|
92.00% |
| eminus / xc / utils.py |
parse_xc_libxc |
|
10 |
8 |
0 |
|
20.00% |
| eminus / xc / utils.py |
parse_xc_pyscf |
|
13 |
3 |
0 |
|
76.92% |
| eminus / xc / utils.py |
get_xc_defaults |
|
28 |
11 |
0 |
|
60.71% |
| eminus / xc / utils.py |
get_zeta |
|
3 |
0 |
0 |
|
100.00% |
| eminus / xc / utils.py |
mock_xc |
|
2 |
0 |
0 |
|
100.00% |
| eminus / xc / utils.py |
(no function) |
|
34 |
0 |
0 |
|
100.00% |