| hiphive/__init__.py |
(no function) |
18 |
0 |
0 |
0 |
0 |
100% |
| hiphive/calculators/__init__.py |
(no function) |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/calculators/ase_calculator.py |
ForceConstantCalculator.__init__ |
29 |
1 |
0 |
8 |
1 |
95% |
| hiphive/calculators/ase_calculator.py |
ForceConstantCalculator.calculate |
7 |
0 |
0 |
2 |
1 |
89% |
| hiphive/calculators/ase_calculator.py |
ForceConstantCalculator._check_atoms |
4 |
2 |
0 |
4 |
2 |
50% |
| hiphive/calculators/ase_calculator.py |
ForceConstantCalculator._compute_displacements |
5 |
2 |
0 |
2 |
1 |
57% |
| hiphive/calculators/ase_calculator.py |
ForceConstantCalculator.compute_energy_and_forces |
7 |
0 |
0 |
2 |
0 |
100% |
| hiphive/calculators/ase_calculator.py |
ForceConstantCalculator.__repr__ |
0 |
0 |
3 |
0 |
0 |
100% |
| hiphive/calculators/ase_calculator.py |
(no function) |
16 |
0 |
1 |
0 |
0 |
100% |
| hiphive/calculators/zbl.py |
a |
1 |
1 |
0 |
0 |
0 |
0% |
| hiphive/calculators/zbl.py |
phi |
1 |
1 |
0 |
0 |
0 |
0% |
| hiphive/calculators/zbl.py |
phi_derivative |
1 |
1 |
0 |
0 |
0 |
0% |
| hiphive/calculators/zbl.py |
zbl_energy |
1 |
1 |
0 |
0 |
0 |
0% |
| hiphive/calculators/zbl.py |
zbl_force |
1 |
1 |
0 |
0 |
0 |
0% |
| hiphive/calculators/zbl.py |
np_linalg_norm_axis1 |
4 |
4 |
0 |
2 |
0 |
0% |
| hiphive/calculators/zbl.py |
inner_loop |
8 |
8 |
0 |
2 |
0 |
0% |
| hiphive/calculators/zbl.py |
outer_loop |
4 |
4 |
0 |
2 |
0 |
0% |
| hiphive/calculators/zbl.py |
ZBLCalculator.__init__ |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/calculators/zbl.py |
ZBLCalculator.calculate |
20 |
1 |
0 |
6 |
1 |
92% |
| hiphive/calculators/zbl.py |
(no function) |
29 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.__init__ |
27 |
1 |
0 |
14 |
1 |
95% |
| hiphive/cluster_space.py |
ClusterSpace.n_dofs |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.cutoffs |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.symprec |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.acoustic_sum_rules |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.length_scale |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.primitive_structure |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.spacegroup |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.wyckoff_sites |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.rotation_matrices |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.translation_vectors |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.permutations |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.atom_list |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.cluster_list |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.orbits |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.orbit_data |
24 |
0 |
0 |
4 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.get_parameter_indices |
21 |
1 |
0 |
16 |
1 |
95% |
| hiphive/cluster_space.py |
ClusterSpace.get_n_dofs_by_order |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace._get_n_dofs |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace._map_parameters |
3 |
1 |
0 |
2 |
1 |
60% |
| hiphive/cluster_space.py |
ClusterSpace.print_tables |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.print_orbits |
9 |
0 |
0 |
2 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.print_orbits.str_orbit |
9 |
0 |
0 |
4 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.__str__ |
25 |
0 |
0 |
8 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.__str__.str_order |
9 |
0 |
0 |
4 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.__repr__ |
0 |
0 |
2 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.copy |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.write |
15 |
0 |
0 |
4 |
0 |
100% |
| hiphive/cluster_space.py |
ClusterSpace.read |
18 |
0 |
0 |
4 |
0 |
100% |
| hiphive/cluster_space.py |
(no function) |
56 |
0 |
1 |
0 |
0 |
100% |
| hiphive/cluster_space_data.py |
ClusterSpaceData.__init__ |
14 |
0 |
0 |
2 |
0 |
100% |
| hiphive/cluster_space_data.py |
ClusterSpaceData.print_tables |
8 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space_data.py |
ClusterSpaceData._cutoff_matrix_padded |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space_data.py |
ClusterSpaceData.to_list |
12 |
0 |
0 |
6 |
0 |
100% |
| hiphive/cluster_space_data.py |
ClusterSpaceData.to_dataframe |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space_data.py |
ClusterSpaceData.__str__ |
6 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cluster_space_data.py |
ClusterSpaceData.__repr__ |
0 |
0 |
1 |
0 |
0 |
100% |
| hiphive/cluster_space_data.py |
(no function) |
12 |
0 |
1 |
0 |
0 |
100% |
| hiphive/config.py |
Config.__init__ |
11 |
0 |
0 |
8 |
0 |
100% |
| hiphive/config.py |
(no function) |
5 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/__init__.py |
(no function) |
0 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/atoms.py |
Atom.__init__ |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/atoms.py |
Atom.site |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/atoms.py |
Atom.offset |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/atoms.py |
Atom.__repr__ |
0 |
0 |
1 |
0 |
0 |
100% |
| hiphive/core/atoms.py |
Atom.spos |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/atoms.py |
Atom.pos |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/atoms.py |
Atom.spos_to_atom |
12 |
3 |
0 |
6 |
2 |
72% |
| hiphive/core/atoms.py |
Atom.__hash__ |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/atoms.py |
Atom.__eq__ |
3 |
1 |
0 |
2 |
1 |
60% |
| hiphive/core/atoms.py |
Atoms.basis |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/atoms.py |
Atoms.write |
5 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/atoms.py |
Atoms.read |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/atoms.py |
atom_to_spos |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/atoms.py |
spos_to_atom |
13 |
1 |
0 |
2 |
1 |
87% |
| hiphive/core/atoms.py |
(no function) |
25 |
0 |
1 |
0 |
0 |
100% |
| hiphive/core/cluster_space_builder.py |
build_cluster_space |
47 |
0 |
0 |
4 |
0 |
100% |
| hiphive/core/cluster_space_builder.py |
_create_permutations |
6 |
0 |
0 |
4 |
0 |
100% |
| hiphive/core/cluster_space_builder.py |
_create_primitive_cell |
27 |
6 |
0 |
10 |
2 |
73% |
| hiphive/core/cluster_space_builder.py |
_create_symmetry_dataset |
9 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/cluster_space_builder.py |
_create_atom_list |
30 |
0 |
0 |
16 |
0 |
100% |
| hiphive/core/cluster_space_builder.py |
_create_cluster_list |
9 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/cluster_space_builder.py |
_create_orbits |
16 |
0 |
0 |
8 |
0 |
100% |
| hiphive/core/cluster_space_builder.py |
_drop_orbits |
25 |
0 |
0 |
18 |
0 |
100% |
| hiphive/core/cluster_space_builder.py |
_populate_ofs_with_ets |
17 |
0 |
0 |
8 |
0 |
100% |
| hiphive/core/cluster_space_builder.py |
_rotate_eigentensors |
10 |
0 |
0 |
6 |
0 |
100% |
| hiphive/core/cluster_space_builder.py |
_normalize_constraint_vectors |
8 |
0 |
0 |
6 |
0 |
100% |
| hiphive/core/cluster_space_builder.py |
_rescale_eigentensors |
18 |
0 |
0 |
14 |
0 |
100% |
| hiphive/core/cluster_space_builder.py |
(no function) |
25 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/clusters.py |
get_clusters |
18 |
0 |
0 |
16 |
0 |
100% |
| hiphive/core/clusters.py |
generate_geometrical_clusters |
14 |
0 |
0 |
10 |
0 |
100% |
| hiphive/core/clusters.py |
create_neighbor_matrices |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/clusters.py |
extend_cluster |
8 |
0 |
0 |
2 |
0 |
100% |
| hiphive/core/clusters.py |
(no function) |
10 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/config.py |
(no function) |
36 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/eigentensors.py |
create_eigentensors |
20 |
0 |
0 |
10 |
0 |
100% |
| hiphive/core/eigentensors.py |
populate_constraint_matrix |
6 |
0 |
0 |
6 |
0 |
100% |
| hiphive/core/eigentensors.py |
init_ets_from_label_symmetry |
15 |
0 |
0 |
6 |
0 |
100% |
| hiphive/core/eigentensors.py |
assemble_new_eigentensor |
4 |
0 |
0 |
2 |
0 |
100% |
| hiphive/core/eigentensors.py |
renormalize_to_integer |
10 |
0 |
0 |
4 |
0 |
100% |
| hiphive/core/eigentensors.py |
(no function) |
12 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/orbits.py |
get_orbits |
13 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/orbits.py |
prepare_permutations |
4 |
0 |
0 |
2 |
0 |
100% |
| hiphive/core/orbits.py |
prepare_atoms |
4 |
0 |
0 |
2 |
0 |
100% |
| hiphive/core/orbits.py |
prepare_clusters |
4 |
0 |
0 |
2 |
0 |
100% |
| hiphive/core/orbits.py |
prepare_rotations |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/orbits.py |
prepare_translations |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/orbits.py |
get_permutation_map |
12 |
0 |
0 |
6 |
0 |
100% |
| hiphive/core/orbits.py |
_get_orbits |
14 |
0 |
0 |
4 |
0 |
100% |
| hiphive/core/orbits.py |
generate_translated_clusters |
13 |
0 |
0 |
6 |
0 |
100% |
| hiphive/core/orbits.py |
populate_orbit |
18 |
0 |
0 |
12 |
1 |
97% |
| hiphive/core/orbits.py |
Orbit.__init__ |
6 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/orbits.py |
Orbit.prototype_index |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/orbits.py |
Orbit.write |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/orbits.py |
Orbit.read |
6 |
0 |
0 |
2 |
0 |
100% |
| hiphive/core/orbits.py |
OrientationFamily.__init__ |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/orbits.py |
OrientationFamily.write |
1 |
1 |
0 |
0 |
0 |
0% |
| hiphive/core/orbits.py |
OrientationFamily.read |
1 |
1 |
0 |
0 |
0 |
0% |
| hiphive/core/orbits.py |
get_geometrical_radius |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/orbits.py |
get_maximum_distance |
7 |
1 |
0 |
6 |
1 |
85% |
| hiphive/core/orbits.py |
(no function) |
32 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/rotational_constraints.py |
enforce_rotational_sum_rules |
15 |
0 |
0 |
2 |
1 |
94% |
| hiphive/core/rotational_constraints.py |
get_rotational_constraint_matrix |
22 |
1 |
0 |
14 |
2 |
92% |
| hiphive/core/rotational_constraints.py |
_get_orbit_parameter_map |
7 |
0 |
0 |
2 |
0 |
100% |
| hiphive/core/rotational_constraints.py |
_get_fc_lookup |
8 |
0 |
0 |
6 |
0 |
100% |
| hiphive/core/rotational_constraints.py |
_create_Huang_constraint |
17 |
0 |
0 |
8 |
0 |
100% |
| hiphive/core/rotational_constraints.py |
_create_Huang_constraint.R |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/rotational_constraints.py |
_create_Born_Huang_constraint |
17 |
0 |
0 |
8 |
0 |
100% |
| hiphive/core/rotational_constraints.py |
(no function) |
11 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structure_alignment.py |
align_supercell |
5 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structure_alignment.py |
relate_structures |
23 |
1 |
0 |
4 |
1 |
93% |
| hiphive/core/structure_alignment.py |
is_rotation |
6 |
0 |
0 |
2 |
1 |
88% |
| hiphive/core/structure_alignment.py |
_find_rotations |
14 |
1 |
0 |
10 |
1 |
92% |
| hiphive/core/structure_alignment.py |
_assert_structures_match |
6 |
0 |
0 |
6 |
0 |
100% |
| hiphive/core/structure_alignment.py |
get_primitive_cell |
6 |
1 |
0 |
2 |
1 |
75% |
| hiphive/core/structure_alignment.py |
_debug_log_atoms |
4 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structure_alignment.py |
rotate_atoms |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structure_alignment.py |
_find_translation |
12 |
0 |
0 |
6 |
0 |
100% |
| hiphive/core/structure_alignment.py |
are_nonpaired_configurations_equal |
16 |
2 |
0 |
10 |
2 |
85% |
| hiphive/core/structure_alignment.py |
(no function) |
17 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
site_offset_to_spos |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
spos_to_pos |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
pos_to_spos |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
spos_to_site_offset |
6 |
1 |
0 |
4 |
1 |
80% |
| hiphive/core/structures.py |
pos_to_site_offset |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
site_offset_to_pos |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
BaseAtom.__init__ |
5 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
BaseAtom.site |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
BaseAtom.offset |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
BaseAtom.astype |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
Atom.__init__ |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
Atom.pos |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
Atom.number |
1 |
1 |
0 |
0 |
0 |
0% |
| hiphive/core/structures.py |
SupercellAtom.__init__ |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
SupercellAtom.index |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
Structure.__init__ |
7 |
1 |
0 |
4 |
1 |
82% |
| hiphive/core/structures.py |
Structure.__len__ |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
Structure.spos |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
Structure.cell |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
Structure.__getitem__ |
3 |
0 |
0 |
2 |
0 |
100% |
| hiphive/core/structures.py |
Structure.atom_from_pos |
4 |
1 |
0 |
2 |
1 |
67% |
| hiphive/core/structures.py |
Supercell.__init__ |
6 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
Supercell._create_map |
3 |
0 |
0 |
2 |
0 |
100% |
| hiphive/core/structures.py |
Supercell.wrap_atom |
8 |
0 |
0 |
2 |
0 |
100% |
| hiphive/core/structures.py |
Supercell.index |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
Supercell.__getitem__ |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
Supercell.__len__ |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/structures.py |
(no function) |
40 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/tensors.py |
rotation_tensor_as_matrix |
7 |
0 |
0 |
2 |
0 |
100% |
| hiphive/core/tensors.py |
rotate_tensor_precalc |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/tensors.py |
rotate_tensor |
11 |
0 |
0 |
6 |
0 |
100% |
| hiphive/core/tensors.py |
rotation_to_cart_coord |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/tensors.py |
(no function) |
6 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/translational_constraints.py |
create_constraint_map |
28 |
0 |
0 |
10 |
0 |
100% |
| hiphive/core/translational_constraints.py |
get_translational_constraint_matrix |
57 |
1 |
0 |
38 |
1 |
98% |
| hiphive/core/translational_constraints.py |
(no function) |
9 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/utilities.py |
ase_atoms_to_spglib_tuple |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/utilities.py |
SparseMatrix.rref_sparse |
49 |
0 |
0 |
28 |
0 |
100% |
| hiphive/core/utilities.py |
SparseMatrix.rref_sparse.multiply_and_add_row |
7 |
0 |
0 |
6 |
0 |
100% |
| hiphive/core/utilities.py |
SparseMatrix.nullspace |
12 |
0 |
0 |
6 |
0 |
100% |
| hiphive/core/utilities.py |
SparseMatrix.to_array |
7 |
0 |
0 |
2 |
0 |
100% |
| hiphive/core/utilities.py |
BiMap.__init__ |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/utilities.py |
BiMap.__contains__ |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/utilities.py |
BiMap.__getitem__ |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/utilities.py |
BiMap.append |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/utilities.py |
BiMap.__len__ |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/utilities.py |
BiMap.index |
4 |
2 |
0 |
0 |
0 |
50% |
| hiphive/core/utilities.py |
BiMap.copy |
4 |
0 |
0 |
0 |
0 |
100% |
| hiphive/core/utilities.py |
(no function) |
21 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cutoffs.py |
Cutoffs.__init__ |
8 |
2 |
0 |
6 |
2 |
71% |
| hiphive/cutoffs.py |
Cutoffs.cutoff_matrix |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cutoffs.py |
Cutoffs.orders |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cutoffs.py |
Cutoffs.nbodies |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cutoffs.py |
Cutoffs.get_cutoff |
7 |
3 |
0 |
6 |
3 |
54% |
| hiphive/cutoffs.py |
Cutoffs.max_cutoff |
4 |
0 |
0 |
2 |
0 |
100% |
| hiphive/cutoffs.py |
Cutoffs.max_nbody |
5 |
0 |
0 |
4 |
1 |
89% |
| hiphive/cutoffs.py |
Cutoffs.max_order |
5 |
0 |
0 |
4 |
1 |
89% |
| hiphive/cutoffs.py |
Cutoffs.max_nbody_cutoff |
3 |
1 |
0 |
2 |
1 |
60% |
| hiphive/cutoffs.py |
Cutoffs.max_nbody_order |
8 |
1 |
0 |
6 |
2 |
79% |
| hiphive/cutoffs.py |
Cutoffs.write |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cutoffs.py |
Cutoffs.read |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cutoffs.py |
Cutoffs.to_filename_tag |
4 |
0 |
0 |
2 |
0 |
100% |
| hiphive/cutoffs.py |
Cutoffs.__str__ |
8 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cutoffs.py |
Cutoffs.__repr__ |
0 |
0 |
1 |
0 |
0 |
100% |
| hiphive/cutoffs.py |
CutoffMaximumBody.__init__ |
4 |
0 |
0 |
2 |
0 |
100% |
| hiphive/cutoffs.py |
is_cutoff_allowed |
9 |
0 |
0 |
6 |
0 |
100% |
| hiphive/cutoffs.py |
estimate_maximum_cutoff |
17 |
0 |
0 |
6 |
0 |
100% |
| hiphive/cutoffs.py |
BaseClusterFilter.setup |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cutoffs.py |
BaseClusterFilter.__call__ |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/cutoffs.py |
(no function) |
32 |
0 |
1 |
0 |
0 |
100% |
| hiphive/force_constant_model.py |
ForceConstantModel.__init__ |
5 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constant_model.py |
ForceConstantModel._populate_orbits |
75 |
2 |
0 |
32 |
1 |
97% |
| hiphive/force_constant_model.py |
ForceConstantModel._populate_orbits.get_atom_index |
9 |
0 |
0 |
2 |
0 |
100% |
| hiphive/force_constant_model.py |
ForceConstantModel._populate_orbits.get_mapped_cluster |
7 |
0 |
0 |
2 |
0 |
100% |
| hiphive/force_constant_model.py |
ForceConstantModel.get_force_constants |
10 |
0 |
0 |
6 |
0 |
100% |
| hiphive/force_constant_model.py |
ForceConstantModel.parameters |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constant_model.py |
ForceConstantModel.parameters |
19 |
0 |
0 |
14 |
2 |
94% |
| hiphive/force_constant_model.py |
ForceConstantModel.get_forces |
15 |
1 |
0 |
8 |
1 |
91% |
| hiphive/force_constant_model.py |
ForceConstantModel.get_fit_matrix |
17 |
0 |
0 |
8 |
0 |
100% |
| hiphive/force_constant_model.py |
ForceConstantModel.get_energy_fit_vector |
7 |
0 |
0 |
2 |
0 |
100% |
| hiphive/force_constant_model.py |
ForceConstantModel.get_fcs_sensing |
22 |
0 |
0 |
8 |
0 |
100% |
| hiphive/force_constant_model.py |
ForceConstantModel.read |
4 |
0 |
0 |
2 |
0 |
100% |
| hiphive/force_constant_model.py |
ForceConstantModel.write |
4 |
0 |
0 |
2 |
0 |
100% |
| hiphive/force_constant_model.py |
(no function) |
31 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constant_potential.py |
ForceConstantPotential.__init__ |
33 |
0 |
0 |
8 |
0 |
100% |
| hiphive/force_constant_potential.py |
ForceConstantPotential.symprec |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constant_potential.py |
ForceConstantPotential.write |
12 |
0 |
0 |
4 |
0 |
100% |
| hiphive/force_constant_potential.py |
ForceConstantPotential.read |
18 |
0 |
0 |
4 |
0 |
100% |
| hiphive/force_constant_potential.py |
ForceConstantPotential._write_old |
7 |
4 |
0 |
2 |
1 |
44% |
| hiphive/force_constant_potential.py |
ForceConstantPotential._read_old |
12 |
1 |
0 |
4 |
1 |
88% |
| hiphive/force_constant_potential.py |
ForceConstantPotential.metadata |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constant_potential.py |
ForceConstantPotential.primitive_structure |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constant_potential.py |
ForceConstantPotential.orbit_data |
18 |
0 |
0 |
4 |
0 |
100% |
| hiphive/force_constant_potential.py |
ForceConstantPotential.print_tables |
1 |
1 |
0 |
0 |
0 |
0% |
| hiphive/force_constant_potential.py |
ForceConstantPotential.get_force_constants |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constant_potential.py |
ForceConstantPotential.__str__ |
21 |
0 |
0 |
4 |
0 |
100% |
| hiphive/force_constant_potential.py |
ForceConstantPotential.__repr__ |
0 |
0 |
2 |
0 |
0 |
100% |
| hiphive/force_constant_potential.py |
ForceConstantPotential._add_default_metadata |
8 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constant_potential.py |
(no function) |
33 |
0 |
1 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.__init__ |
3 |
0 |
0 |
2 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.__getitem__ |
1 |
1 |
0 |
0 |
0 |
0% |
| hiphive/force_constants.py |
ForceConstants.n_atoms |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.supercell |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.clusters |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.__len__ |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.__add__ |
8 |
0 |
0 |
6 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.get_fc_dict |
9 |
0 |
0 |
8 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.get_fc_array |
12 |
1 |
0 |
10 |
1 |
91% |
| hiphive/force_constants.py |
ForceConstants.compute_gamma_frequencies |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.assert_acoustic_sum_rules |
15 |
0 |
0 |
10 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.print_force_constant |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.__eq__ |
16 |
1 |
0 |
16 |
1 |
94% |
| hiphive/force_constants.py |
ForceConstants.__str__ |
14 |
2 |
0 |
8 |
1 |
77% |
| hiphive/force_constants.py |
ForceConstants.__repr__ |
0 |
0 |
5 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants._repr_fc |
7 |
0 |
0 |
2 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants._sanity_check_dict |
5 |
0 |
0 |
6 |
1 |
91% |
| hiphive/force_constants.py |
ForceConstants.from_arrays |
15 |
0 |
0 |
10 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.from_sparse_dict |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.from_dense_dict |
4 |
0 |
0 |
2 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.read_phonopy |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.read_phono3py |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.read_shengBTE |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.read |
11 |
1 |
0 |
4 |
1 |
87% |
| hiphive/force_constants.py |
ForceConstants.write |
5 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.write_to_phonopy |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.write_to_phono3py |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
ForceConstants.write_to_shengBTE |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
SortedForceConstants.__init__ |
4 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
SortedForceConstants.__getitem__ |
5 |
0 |
0 |
2 |
0 |
100% |
| hiphive/force_constants.py |
SortedForceConstants.orders |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
SortedForceConstants._sanity_check_dict |
4 |
0 |
0 |
4 |
0 |
100% |
| hiphive/force_constants.py |
SortedForceConstants.write_to_GPUMD |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
RawForceConstants.__init__ |
4 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
RawForceConstants.__getitem__ |
3 |
0 |
0 |
2 |
0 |
100% |
| hiphive/force_constants.py |
RawForceConstants.orders |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/force_constants.py |
array_to_dense_dict |
10 |
1 |
0 |
6 |
1 |
88% |
| hiphive/force_constants.py |
check_label_symmetries |
8 |
1 |
0 |
6 |
1 |
86% |
| hiphive/force_constants.py |
dense_dict_to_sparse_dict |
5 |
0 |
0 |
4 |
0 |
100% |
| hiphive/force_constants.py |
symbolize_force_constant |
14 |
0 |
0 |
8 |
0 |
100% |
| hiphive/force_constants.py |
_compute_gamma_frequencies |
19 |
1 |
0 |
8 |
1 |
93% |
| hiphive/force_constants.py |
(no function) |
68 |
0 |
1 |
0 |
0 |
100% |
| hiphive/input_output/__init__.py |
(no function) |
0 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/gpumd.py |
write_fcs_gpumd |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/gpumd.py |
_write_fc_lookup |
7 |
0 |
0 |
4 |
0 |
100% |
| hiphive/input_output/gpumd.py |
_write_clusters |
6 |
0 |
0 |
2 |
0 |
100% |
| hiphive/input_output/gpumd.py |
_get_clusters |
9 |
0 |
0 |
8 |
0 |
100% |
| hiphive/input_output/gpumd.py |
_get_lookup_data_naive |
14 |
1 |
0 |
8 |
1 |
91% |
| hiphive/input_output/gpumd.py |
_get_lookup_data_smart |
17 |
0 |
0 |
4 |
0 |
100% |
| hiphive/input_output/gpumd.py |
write_fcp_txt |
4 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/gpumd.py |
write_r0 |
4 |
0 |
0 |
2 |
0 |
100% |
| hiphive/input_output/gpumd.py |
(no function) |
10 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/logging_tools.py |
Progress.__init__ |
8 |
2 |
0 |
2 |
1 |
70% |
| hiphive/input_output/logging_tools.py |
Progress.tick |
9 |
0 |
0 |
4 |
1 |
92% |
| hiphive/input_output/logging_tools.py |
Progress.close |
7 |
0 |
0 |
2 |
0 |
100% |
| hiphive/input_output/logging_tools.py |
set_config |
7 |
1 |
0 |
6 |
1 |
85% |
| hiphive/input_output/logging_tools.py |
(no function) |
14 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/phonopy.py |
_filename_to_format |
8 |
0 |
0 |
6 |
0 |
100% |
| hiphive/input_output/phonopy.py |
read_phonopy_fc2 |
6 |
0 |
0 |
4 |
0 |
100% |
| hiphive/input_output/phonopy.py |
write_phonopy_fc2 |
14 |
0 |
0 |
10 |
0 |
100% |
| hiphive/input_output/phonopy.py |
read_phonopy_fc3 |
5 |
1 |
0 |
2 |
1 |
71% |
| hiphive/input_output/phonopy.py |
write_phonopy_fc3 |
11 |
0 |
0 |
6 |
0 |
100% |
| hiphive/input_output/phonopy.py |
_read_phonopy_fc2_text |
21 |
2 |
0 |
12 |
2 |
88% |
| hiphive/input_output/phonopy.py |
_read_phonopy_fc2_hdf5 |
7 |
2 |
0 |
4 |
2 |
64% |
| hiphive/input_output/phonopy.py |
_write_phonopy_fc2_text |
10 |
1 |
0 |
6 |
1 |
88% |
| hiphive/input_output/phonopy.py |
_write_phonopy_fc2_hdf5 |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/phonopy.py |
(no function) |
19 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/pretty_table_prints.py |
_obj2str |
6 |
1 |
0 |
6 |
1 |
83% |
| hiphive/input_output/pretty_table_prints.py |
print_table |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/pretty_table_prints.py |
table_array_to_string |
4 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/pretty_table_prints.py |
_generate_table_array |
12 |
0 |
0 |
10 |
0 |
100% |
| hiphive/input_output/pretty_table_prints.py |
_generate_table_str |
12 |
0 |
0 |
6 |
0 |
100% |
| hiphive/input_output/pretty_table_prints.py |
_build_table_frame |
9 |
0 |
0 |
2 |
0 |
100% |
| hiphive/input_output/pretty_table_prints.py |
(no function) |
9 |
0 |
8 |
0 |
0 |
100% |
| hiphive/input_output/read_write_files.py |
add_ase_atoms_to_tarfile |
5 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/read_write_files.py |
read_ase_atoms_from_tarfile |
5 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/read_write_files.py |
add_items_to_tarfile_hdf5 |
9 |
0 |
0 |
2 |
0 |
100% |
| hiphive/input_output/read_write_files.py |
add_items_to_tarfile_pickle |
6 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/read_write_files.py |
add_items_to_tarfile_custom |
7 |
0 |
0 |
2 |
0 |
100% |
| hiphive/input_output/read_write_files.py |
add_list_to_tarfile_custom |
8 |
0 |
0 |
2 |
0 |
100% |
| hiphive/input_output/read_write_files.py |
read_items_hdf5 |
7 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/read_write_files.py |
read_items_pickle |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/read_write_files.py |
read_list_custom |
13 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/read_write_files.py |
(no function) |
18 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/shengBTE.py |
read_shengBTE_fc3 |
4 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/shengBTE.py |
write_shengBTE_fc3 |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/input_output/shengBTE.py |
_read_raw_sheng |
19 |
0 |
0 |
4 |
0 |
100% |
| hiphive/input_output/shengBTE.py |
_raw_to_fancy |
8 |
0 |
0 |
2 |
0 |
100% |
| hiphive/input_output/shengBTE.py |
_fancy_to_raw |
8 |
0 |
0 |
2 |
0 |
100% |
| hiphive/input_output/shengBTE.py |
_write_raw_sheng |
12 |
0 |
0 |
4 |
0 |
100% |
| hiphive/input_output/shengBTE.py |
_fcs_to_sheng |
38 |
0 |
0 |
20 |
0 |
100% |
| hiphive/input_output/shengBTE.py |
_sheng_to_fcs |
17 |
2 |
0 |
8 |
2 |
84% |
| hiphive/input_output/shengBTE.py |
(no function) |
14 |
0 |
0 |
0 |
0 |
100% |
| hiphive/self_consistent_phonons/__init__.py |
(no function) |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/self_consistent_phonons/self_consistent_harmonic_model.py |
self_consistent_harmonic_model |
39 |
2 |
0 |
12 |
3 |
90% |
| hiphive/self_consistent_phonons/self_consistent_harmonic_model.py |
(no function) |
7 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_container.py |
StructureContainer.__init__ |
8 |
1 |
0 |
6 |
1 |
86% |
| hiphive/structure_container.py |
StructureContainer.__len__ |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_container.py |
StructureContainer.__getitem__ |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_container.py |
StructureContainer.data_shape |
5 |
0 |
0 |
2 |
0 |
100% |
| hiphive/structure_container.py |
StructureContainer.cluster_space |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_container.py |
StructureContainer.read |
14 |
1 |
0 |
6 |
1 |
90% |
| hiphive/structure_container.py |
StructureContainer.write |
9 |
1 |
0 |
4 |
1 |
85% |
| hiphive/structure_container.py |
StructureContainer.add_structure |
14 |
0 |
0 |
10 |
0 |
100% |
| hiphive/structure_container.py |
StructureContainer.delete_all_structures |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_container.py |
StructureContainer.get_fit_data |
9 |
0 |
0 |
6 |
0 |
100% |
| hiphive/structure_container.py |
StructureContainer.__str__ |
3 |
0 |
0 |
2 |
0 |
100% |
| hiphive/structure_container.py |
StructureContainer.__repr__ |
0 |
0 |
2 |
0 |
0 |
100% |
| hiphive/structure_container.py |
StructureContainer._get_str_structure_list |
15 |
0 |
0 |
2 |
0 |
100% |
| hiphive/structure_container.py |
StructureContainer._get_str_structure_list.str_structure |
8 |
0 |
0 |
4 |
0 |
100% |
| hiphive/structure_container.py |
StructureContainer._compute_fit_matrix |
6 |
0 |
0 |
2 |
0 |
100% |
| hiphive/structure_container.py |
FitStructure.__init__ |
5 |
1 |
0 |
2 |
1 |
71% |
| hiphive/structure_container.py |
FitStructure.fit_matrix |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_container.py |
FitStructure.atoms |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_container.py |
FitStructure.forces |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_container.py |
FitStructure.displacements |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_container.py |
FitStructure.__getattr__ |
3 |
0 |
0 |
2 |
0 |
100% |
| hiphive/structure_container.py |
FitStructure.__len__ |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_container.py |
FitStructure.__str__ |
13 |
0 |
0 |
2 |
0 |
100% |
| hiphive/structure_container.py |
FitStructure.__repr__ |
0 |
0 |
1 |
0 |
0 |
100% |
| hiphive/structure_container.py |
FitStructure.write |
8 |
1 |
0 |
2 |
1 |
80% |
| hiphive/structure_container.py |
FitStructure.read |
6 |
1 |
0 |
2 |
1 |
75% |
| hiphive/structure_container.py |
are_configurations_equal |
12 |
0 |
0 |
12 |
0 |
100% |
| hiphive/structure_container.py |
(no function) |
43 |
0 |
2 |
0 |
0 |
100% |
| hiphive/structure_generation/__init__.py |
(no function) |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_generation/phonon.py |
generate_phonon_rattled_structures |
7 |
0 |
0 |
2 |
0 |
100% |
| hiphive/structure_generation/phonon.py |
_n_BE |
6 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_generation/phonon.py |
_phonon_rattle |
15 |
0 |
0 |
2 |
0 |
100% |
| hiphive/structure_generation/phonon.py |
_PhononRattler.__init__ |
21 |
2 |
0 |
6 |
2 |
85% |
| hiphive/structure_generation/phonon.py |
_PhononRattler.__call__ |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_generation/phonon.py |
(no function) |
10 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_generation/rattle.py |
generate_rattled_structures |
9 |
0 |
0 |
2 |
0 |
100% |
| hiphive/structure_generation/rattle.py |
generate_mc_rattled_structures |
9 |
0 |
0 |
2 |
0 |
100% |
| hiphive/structure_generation/rattle.py |
_probability_mc_rattle |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/structure_generation/rattle.py |
mc_rattle |
28 |
5 |
0 |
16 |
6 |
75% |
| hiphive/structure_generation/rattle.py |
(no function) |
7 |
0 |
0 |
0 |
0 |
100% |
| hiphive/utilities.py |
get_displacements |
7 |
0 |
0 |
4 |
0 |
100% |
| hiphive/utilities.py |
_get_forces_from_atoms |
22 |
1 |
0 |
18 |
1 |
95% |
| hiphive/utilities.py |
prepare_structure |
11 |
0 |
0 |
2 |
0 |
100% |
| hiphive/utilities.py |
prepare_structures |
1 |
0 |
0 |
0 |
0 |
100% |
| hiphive/utilities.py |
find_permutation |
11 |
0 |
0 |
8 |
0 |
100% |
| hiphive/utilities.py |
Shell.__init__ |
3 |
0 |
0 |
0 |
0 |
100% |
| hiphive/utilities.py |
Shell.__str__ |
2 |
0 |
0 |
0 |
0 |
100% |
| hiphive/utilities.py |
get_neighbor_shells |
21 |
0 |
0 |
14 |
0 |
100% |
| hiphive/utilities.py |
extract_parameters |
21 |
1 |
0 |
10 |
3 |
87% |
| hiphive/utilities.py |
(no function) |
22 |
0 |
0 |
0 |
0 |
100% |