| icet/__init__.py |
(no function) |
14 |
0 |
0 |
0 |
0 |
100% |
| icet/core/__init__.py |
(no function) |
0 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.__init__ |
10 |
0 |
0 |
6 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.predict |
3 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.get_cluster_space_copy |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.to_dataframe |
7 |
0 |
0 |
2 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.chemical_symbols |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.cutoffs |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.orders |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.parameters |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.metadata |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.symprec |
1 |
1 |
0 |
0 |
0 |
0% |
| icet/core/cluster_expansion.py |
ClusterExpansion.position_tolerance |
1 |
1 |
0 |
0 |
0 |
0% |
| icet/core/cluster_expansion.py |
ClusterExpansion.fractional_position_tolerance |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.primitive_structure |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.__len__ |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion._get_string_representation |
36 |
0 |
0 |
14 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.__str__ |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion._repr_html_ |
20 |
0 |
0 |
6 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.__repr__ |
5 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_expansion.py |
ClusterExpansion.prune |
19 |
1 |
0 |
12 |
1 |
94% |
| icet/core/cluster_expansion.py |
ClusterExpansion.write |
17 |
0 |
0 |
2 |
1 |
95% |
| icet/core/cluster_expansion.py |
ClusterExpansion.read |
14 |
0 |
0 |
2 |
1 |
94% |
| icet/core/cluster_expansion.py |
ClusterExpansion._add_default_metadata |
8 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_expansion.py |
(no function) |
44 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.__init__ |
27 |
1 |
0 |
10 |
1 |
95% |
| icet/core/cluster_space.py |
ClusterSpace._get_chemical_symbols |
15 |
0 |
0 |
15 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace._get_chemical_symbol_representation |
6 |
0 |
0 |
2 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace._get_string_representation |
26 |
0 |
0 |
10 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace._get_string_representation.repr_orbit |
11 |
0 |
0 |
6 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.__str__ |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace._repr_html_ |
16 |
0 |
0 |
6 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.__repr__ |
7 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.__getitem__ |
1 |
1 |
0 |
0 |
0 |
0% |
| icet/core/cluster_space.py |
ClusterSpace.symprec |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.position_tolerance |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.fractional_position_tolerance |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.space_group |
2 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.as_list |
13 |
0 |
0 |
6 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.to_dataframe |
3 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.number_of_orbits_by_order |
5 |
0 |
0 |
2 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.get_cluster_vector |
7 |
1 |
1 |
2 |
1 |
78% |
| icet/core/cluster_space.py |
ClusterSpace.get_coordinates_of_representative_cluster |
3 |
0 |
0 |
2 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace._remove_orbits |
5 |
0 |
0 |
2 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.prune_orbit_list |
2 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.primitive_structure |
4 |
0 |
0 |
2 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.chemical_symbols |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.cutoffs |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.orbit_list |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.get_possible_orbit_occupations |
4 |
0 |
0 |
4 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.get_sublattices |
2 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.assert_structure_compatibility |
8 |
0 |
0 |
4 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.merge_orbits |
25 |
1 |
0 |
27 |
1 |
96% |
| icet/core/cluster_space.py |
ClusterSpace.is_supercell_self_interacting |
9 |
0 |
0 |
8 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.get_multiplicities |
1 |
0 |
0 |
2 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.write |
15 |
0 |
0 |
0 |
0 |
100% |
| icet/core/cluster_space.py |
ClusterSpace.read |
21 |
2 |
4 |
14 |
2 |
83% |
| icet/core/cluster_space.py |
ClusterSpace.copy |
7 |
0 |
0 |
6 |
1 |
92% |
| icet/core/cluster_space.py |
(no function) |
64 |
0 |
0 |
0 |
0 |
100% |
| icet/core/lattice_site.py |
__latticeSite_str |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/lattice_site.py |
(no function) |
3 |
0 |
0 |
0 |
0 |
100% |
| icet/core/local_orbit_list_generator.py |
(no function) |
2 |
0 |
0 |
0 |
0 |
100% |
| icet/core/many_body_neighbor_list.py |
(no function) |
2 |
0 |
0 |
0 |
0 |
100% |
| icet/core/matrix_of_equivalent_positions.py |
MatrixOfEquivalentPositions.__init__ |
5 |
0 |
0 |
2 |
0 |
100% |
| icet/core/matrix_of_equivalent_positions.py |
MatrixOfEquivalentPositions.build |
5 |
0 |
0 |
0 |
0 |
100% |
| icet/core/matrix_of_equivalent_positions.py |
MatrixOfEquivalentPositions.get_equivalent_positions |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/matrix_of_equivalent_positions.py |
matrix_of_equivalent_positions_from_structure |
17 |
0 |
0 |
4 |
1 |
95% |
| icet/core/matrix_of_equivalent_positions.py |
_get_lattice_site_matrix_of_equivalent_positions |
16 |
2 |
0 |
8 |
3 |
79% |
| icet/core/matrix_of_equivalent_positions.py |
_prune_matrix_of_equivalent_positions |
8 |
0 |
0 |
8 |
0 |
100% |
| icet/core/matrix_of_equivalent_positions.py |
_fractional_to_cartesian |
2 |
0 |
0 |
2 |
0 |
100% |
| icet/core/matrix_of_equivalent_positions.py |
(no function) |
18 |
0 |
0 |
0 |
0 |
100% |
| icet/core/neighbor_list.py |
get_neighbor_lists |
21 |
2 |
1 |
14 |
1 |
91% |
| icet/core/neighbor_list.py |
(no function) |
6 |
0 |
0 |
0 |
0 |
100% |
| icet/core/orbit.py |
__str__ |
9 |
0 |
0 |
6 |
0 |
100% |
| icet/core/orbit.py |
__repr__ |
7 |
0 |
0 |
0 |
0 |
100% |
| icet/core/orbit.py |
_repr_html_ |
11 |
11 |
0 |
0 |
0 |
0% |
| icet/core/orbit.py |
distances |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/orbit.py |
sites |
1 |
0 |
0 |
2 |
0 |
100% |
| icet/core/orbit.py |
site_offsets |
1 |
0 |
0 |
2 |
0 |
100% |
| icet/core/orbit.py |
positions |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/orbit.py |
all_distances |
1 |
0 |
0 |
2 |
0 |
100% |
| icet/core/orbit.py |
all_sites |
1 |
0 |
0 |
2 |
0 |
100% |
| icet/core/orbit.py |
all_site_offsets |
1 |
0 |
0 |
2 |
0 |
100% |
| icet/core/orbit.py |
all_positions |
1 |
0 |
0 |
2 |
0 |
100% |
| icet/core/orbit.py |
(no function) |
33 |
0 |
0 |
0 |
0 |
100% |
| icet/core/orbit_list.py |
OrbitList.__init__ |
10 |
0 |
0 |
2 |
0 |
100% |
| icet/core/orbit_list.py |
OrbitList.primitive_structure |
1 |
1 |
0 |
0 |
0 |
0% |
| icet/core/orbit_list.py |
OrbitList.__str__ |
6 |
6 |
0 |
4 |
0 |
0% |
| icet/core/orbit_list.py |
OrbitList.__getitem__ |
1 |
1 |
0 |
0 |
0 |
0% |
| icet/core/orbit_list.py |
OrbitList.get_supercell_orbit_list |
3 |
0 |
0 |
0 |
0 |
100% |
| icet/core/orbit_list.py |
OrbitList.get_cluster_counts |
15 |
0 |
0 |
6 |
0 |
100% |
| icet/core/orbit_list.py |
(no function) |
21 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure.py |
Structure.__init__ |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure.py |
Structure.from_atoms |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure.py |
Structure.find_lattice_sites_by_positions |
4 |
0 |
0 |
2 |
0 |
100% |
| icet/core/structure.py |
_structure_to_atoms |
5 |
0 |
0 |
2 |
0 |
100% |
| icet/core/structure.py |
(no function) |
11 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure_container.py |
StructureContainer.__init__ |
4 |
0 |
0 |
2 |
0 |
100% |
| icet/core/structure_container.py |
StructureContainer.__len__ |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure_container.py |
StructureContainer.__getitem__ |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure_container.py |
StructureContainer.get_structure_indices |
1 |
0 |
0 |
2 |
0 |
100% |
| icet/core/structure_container.py |
StructureContainer._get_string_representation |
37 |
0 |
0 |
22 |
0 |
100% |
| icet/core/structure_container.py |
StructureContainer._get_string_representation.get_format |
3 |
0 |
0 |
2 |
0 |
100% |
| icet/core/structure_container.py |
StructureContainer.__str__ |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure_container.py |
StructureContainer._repr_html_ |
4 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure_container.py |
StructureContainer.to_dataframe |
6 |
0 |
0 |
2 |
0 |
100% |
| icet/core/structure_container.py |
StructureContainer.add_structure |
23 |
2 |
0 |
20 |
4 |
86% |
| icet/core/structure_container.py |
StructureContainer.get_condition_number |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure_container.py |
StructureContainer.get_fit_data |
16 |
1 |
1 |
14 |
1 |
93% |
| icet/core/structure_container.py |
StructureContainer.cluster_space |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure_container.py |
StructureContainer.available_properties |
1 |
0 |
0 |
2 |
0 |
100% |
| icet/core/structure_container.py |
StructureContainer.write |
12 |
0 |
0 |
4 |
0 |
100% |
| icet/core/structure_container.py |
StructureContainer.read |
20 |
0 |
0 |
6 |
0 |
100% |
| icet/core/structure_container.py |
FitStructure.__init__ |
4 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure_container.py |
FitStructure.cluster_vector |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure_container.py |
FitStructure.structure |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure_container.py |
FitStructure.user_tag |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure_container.py |
FitStructure.__getattr__ |
3 |
0 |
0 |
2 |
0 |
100% |
| icet/core/structure_container.py |
FitStructure.__len__ |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/structure_container.py |
FitStructure.__str__ |
16 |
0 |
0 |
6 |
0 |
100% |
| icet/core/structure_container.py |
FitStructure._repr_html_ |
20 |
0 |
0 |
6 |
0 |
100% |
| icet/core/structure_container.py |
(no function) |
41 |
0 |
0 |
0 |
0 |
100% |
| icet/core/sublattices.py |
Sublattice.__init__ |
4 |
0 |
0 |
0 |
0 |
100% |
| icet/core/sublattices.py |
Sublattice.chemical_symbols |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/sublattices.py |
Sublattice.atomic_numbers |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/sublattices.py |
Sublattice.indices |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/sublattices.py |
Sublattice.symbol |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/sublattices.py |
Sublattices.__init__ |
21 |
0 |
0 |
16 |
0 |
100% |
| icet/core/sublattices.py |
Sublattices.__getitem__ |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/sublattices.py |
Sublattices.__len__ |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/sublattices.py |
Sublattices.__iter__ |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/sublattices.py |
Sublattices.get_sublattice_index_from_site_index |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/sublattices.py |
Sublattices.allowed_species |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/sublattices.py |
Sublattices.get_sublattice_sites |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/sublattices.py |
Sublattices.get_allowed_symbols_on_site |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/sublattices.py |
Sublattices.get_allowed_numbers_on_site |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/core/sublattices.py |
Sublattices.active_sublattices |
1 |
0 |
0 |
2 |
0 |
100% |
| icet/core/sublattices.py |
Sublattices.inactive_sublattices |
1 |
0 |
0 |
2 |
0 |
100% |
| icet/core/sublattices.py |
Sublattices.assert_occupation_is_allowed |
7 |
0 |
0 |
8 |
0 |
100% |
| icet/core/sublattices.py |
(no function) |
35 |
0 |
0 |
0 |
0 |
100% |
| icet/input_output/__init__.py |
(no function) |
0 |
0 |
0 |
0 |
0 |
100% |
| icet/input_output/logging_tools.py |
MyFilter.__init__ |
1 |
1 |
0 |
0 |
0 |
0% |
| icet/input_output/logging_tools.py |
MyFilter.filter |
1 |
1 |
0 |
0 |
0 |
0% |
| icet/input_output/logging_tools.py |
set_log_config |
11 |
2 |
0 |
8 |
2 |
79% |
| icet/input_output/logging_tools.py |
(no function) |
15 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/__init__.py |
(no function) |
8 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/constituent_strain.py |
KPoint.__init__ |
6 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/constituent_strain.py |
ConstituentStrain.__init__ |
22 |
0 |
1 |
14 |
2 |
94% |
| icet/tools/constituent_strain.py |
ConstituentStrain.get_concentration |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/constituent_strain.py |
ConstituentStrain._get_constituent_strain_term |
7 |
0 |
0 |
2 |
0 |
100% |
| icet/tools/constituent_strain.py |
ConstituentStrain.get_constituent_strain |
5 |
0 |
0 |
2 |
0 |
100% |
| icet/tools/constituent_strain.py |
ConstituentStrain.get_constituent_strain_change |
23 |
0 |
0 |
8 |
0 |
100% |
| icet/tools/constituent_strain.py |
ConstituentStrain.accept_change |
2 |
0 |
0 |
2 |
0 |
100% |
| icet/tools/constituent_strain.py |
_generate_k_points |
32 |
0 |
0 |
21 |
1 |
98% |
| icet/tools/constituent_strain.py |
_ordered_combinations |
6 |
0 |
0 |
6 |
0 |
100% |
| icet/tools/constituent_strain.py |
_translate_to_1BZ |
12 |
0 |
0 |
6 |
0 |
100% |
| icet/tools/constituent_strain.py |
_find_equivalent_kpoints |
6 |
0 |
0 |
4 |
0 |
100% |
| icet/tools/constituent_strain.py |
_generate_primitive_translations |
4 |
0 |
0 |
4 |
0 |
100% |
| icet/tools/constituent_strain.py |
(no function) |
21 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/constraints.py |
Constraints.__init__ |
2 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/constraints.py |
Constraints.transform |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/constraints.py |
Constraints.inverse_transform |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/constraints.py |
Constraints.add_constraint |
3 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/constraints.py |
get_mixing_energy_constraints |
13 |
0 |
0 |
8 |
0 |
100% |
| icet/tools/constraints.py |
(no function) |
9 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/convex_hull.py |
ConvexHull.__init__ |
25 |
0 |
0 |
6 |
0 |
100% |
| icet/tools/convex_hull.py |
ConvexHull.__str__ |
9 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/convex_hull.py |
ConvexHull._repr_html_ |
10 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/convex_hull.py |
ConvexHull._remove_points_above_tie_plane |
19 |
0 |
0 |
10 |
0 |
100% |
| icet/tools/convex_hull.py |
ConvexHull.get_energy_at_convex_hull |
11 |
2 |
0 |
4 |
0 |
87% |
| icet/tools/convex_hull.py |
ConvexHull.extract_low_energy_structures |
8 |
1 |
0 |
4 |
1 |
83% |
| icet/tools/convex_hull.py |
(no function) |
13 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/geometry.py |
get_scaled_positions |
7 |
0 |
0 |
6 |
0 |
100% |
| icet/tools/geometry.py |
get_primitive_structure |
10 |
0 |
0 |
4 |
0 |
100% |
| icet/tools/geometry.py |
get_fractional_positions_from_neighbor_list |
13 |
0 |
0 |
6 |
1 |
95% |
| icet/tools/geometry.py |
get_position_from_lattice_site |
1 |
1 |
0 |
0 |
0 |
0% |
| icet/tools/geometry.py |
fractional_to_cartesian |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/geometry.py |
get_permutation |
4 |
0 |
1 |
4 |
0 |
100% |
| icet/tools/geometry.py |
ase_atoms_to_spglib_cell |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/geometry.py |
get_occupied_primitive_structure |
18 |
1 |
0 |
12 |
1 |
93% |
| icet/tools/geometry.py |
atomic_number_to_chemical_symbol |
2 |
0 |
0 |
2 |
0 |
100% |
| icet/tools/geometry.py |
chemical_symbols_to_numbers |
2 |
0 |
0 |
2 |
0 |
100% |
| icet/tools/geometry.py |
get_wyckoff_sites |
20 |
0 |
0 |
14 |
1 |
97% |
| icet/tools/geometry.py |
(no function) |
20 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/ground_state_finder.py |
GroundStateFinder.__init__ |
28 |
0 |
2 |
20 |
1 |
98% |
| icet/tools/ground_state_finder.py |
GroundStateFinder._build_model |
28 |
1 |
0 |
20 |
1 |
96% |
| icet/tools/ground_state_finder.py |
GroundStateFinder._create_cluster_maps |
18 |
0 |
0 |
10 |
0 |
100% |
| icet/tools/ground_state_finder.py |
GroundStateFinder._get_total_energy |
7 |
0 |
0 |
6 |
0 |
100% |
| icet/tools/ground_state_finder.py |
GroundStateFinder.get_ground_state |
40 |
2 |
1 |
24 |
1 |
95% |
| icet/tools/ground_state_finder.py |
GroundStateFinder.optimization_status |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/ground_state_finder.py |
GroundStateFinder.model |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/ground_state_finder.py |
(no function) |
25 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/structure_enumeration.py |
_translate_labelings |
15 |
0 |
0 |
12 |
0 |
100% |
| icet/tools/structure_enumeration.py |
_get_all_labelings |
13 |
0 |
0 |
10 |
0 |
100% |
| icet/tools/structure_enumeration.py |
_permute_labeling |
12 |
0 |
0 |
6 |
0 |
100% |
| icet/tools/structure_enumeration.py |
_yield_unique_labelings |
16 |
0 |
0 |
14 |
0 |
100% |
| icet/tools/structure_enumeration.py |
_labeling_to_ase_atoms |
26 |
0 |
0 |
10 |
0 |
100% |
| icet/tools/structure_enumeration.py |
_get_symmetry_operations |
36 |
1 |
0 |
18 |
1 |
96% |
| icet/tools/structure_enumeration.py |
enumerate_structures |
44 |
3 |
1 |
36 |
5 |
90% |
| icet/tools/structure_enumeration.py |
enumerate_supercells |
15 |
1 |
0 |
12 |
2 |
89% |
| icet/tools/structure_enumeration.py |
(no function) |
18 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/structure_enumeration_support/__init__.py |
(no function) |
0 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/structure_enumeration_support/labeling_generation.py |
LabelingGenerator.__init__ |
10 |
0 |
0 |
6 |
0 |
100% |
| icet/tools/structure_enumeration_support/labeling_generation.py |
LabelingGenerator.yield_labelings |
8 |
0 |
0 |
10 |
0 |
100% |
| icet/tools/structure_enumeration_support/labeling_generation.py |
LabelingGenerator.yield_products |
14 |
0 |
0 |
16 |
0 |
100% |
| icet/tools/structure_enumeration_support/labeling_generation.py |
LabelingGenerator.yield_unique_permutations |
9 |
0 |
0 |
8 |
0 |
100% |
| icet/tools/structure_enumeration_support/labeling_generation.py |
LabelingGenerator.yield_permutations |
7 |
0 |
0 |
8 |
0 |
100% |
| icet/tools/structure_enumeration_support/labeling_generation.py |
LabelingGenerator.sort_labeling |
12 |
0 |
0 |
6 |
0 |
100% |
| icet/tools/structure_enumeration_support/labeling_generation.py |
SiteGroup.__init__ |
4 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/structure_enumeration_support/labeling_generation.py |
SiteGroup.compute_all_combinations |
4 |
0 |
0 |
2 |
0 |
100% |
| icet/tools/structure_enumeration_support/labeling_generation.py |
(no function) |
13 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/structure_enumeration_support/normal_form_matrices.py |
HermiteNormalForm.__init__ |
4 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/structure_enumeration_support/normal_form_matrices.py |
HermiteNormalForm.compute_transformations |
9 |
0 |
0 |
4 |
0 |
100% |
| icet/tools/structure_enumeration_support/normal_form_matrices.py |
yield_hermite_normal_forms |
28 |
1 |
0 |
32 |
2 |
95% |
| icet/tools/structure_enumeration_support/normal_form_matrices.py |
yield_reduced_hnfs |
22 |
0 |
0 |
12 |
0 |
100% |
| icet/tools/structure_enumeration_support/normal_form_matrices.py |
SmithNormalForm.__init__ |
9 |
0 |
0 |
4 |
0 |
100% |
| icet/tools/structure_enumeration_support/normal_form_matrices.py |
SmithNormalForm.compute_snf |
24 |
1 |
0 |
10 |
1 |
94% |
| icet/tools/structure_enumeration_support/normal_form_matrices.py |
SmithNormalForm.add_hnf |
1 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/structure_enumeration_support/normal_form_matrices.py |
SmithNormalForm.set_group_order |
6 |
0 |
0 |
6 |
0 |
100% |
| icet/tools/structure_enumeration_support/normal_form_matrices.py |
_gcd_reduce_row |
24 |
0 |
0 |
16 |
1 |
98% |
| icet/tools/structure_enumeration_support/normal_form_matrices.py |
get_unique_snfs |
14 |
0 |
0 |
8 |
0 |
100% |
| icet/tools/structure_enumeration_support/normal_form_matrices.py |
(no function) |
14 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/structure_generation.py |
generate_target_structure_from_supercells |
20 |
0 |
0 |
8 |
1 |
96% |
| icet/tools/structure_generation.py |
generate_target_structure |
17 |
0 |
0 |
10 |
0 |
100% |
| icet/tools/structure_generation.py |
generate_sqs_from_supercells |
2 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/structure_generation.py |
generate_sqs |
2 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/structure_generation.py |
generate_sqs_by_enumeration |
32 |
0 |
0 |
18 |
0 |
100% |
| icet/tools/structure_generation.py |
occupy_structure_randomly |
20 |
0 |
0 |
10 |
0 |
100% |
| icet/tools/structure_generation.py |
_validate_concentrations |
15 |
0 |
0 |
14 |
0 |
100% |
| icet/tools/structure_generation.py |
_concentrations_fit_structure |
8 |
0 |
0 |
8 |
0 |
100% |
| icet/tools/structure_generation.py |
_get_sqs_cluster_vector |
36 |
0 |
0 |
30 |
0 |
100% |
| icet/tools/structure_generation.py |
(no function) |
19 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/structure_mapping.py |
calculate_strain_tensor |
5 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/structure_mapping.py |
map_structure_to_reference |
29 |
0 |
0 |
14 |
0 |
100% |
| icet/tools/structure_mapping.py |
_get_reference_supercell |
19 |
0 |
0 |
10 |
0 |
100% |
| icet/tools/structure_mapping.py |
_match_positions |
52 |
0 |
0 |
16 |
0 |
100% |
| icet/tools/structure_mapping.py |
(no function) |
12 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/training_set_generation.py |
_get_fit_matrix |
4 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/training_set_generation.py |
_do_swap |
7 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/training_set_generation.py |
structure_selection_annealing |
35 |
4 |
0 |
20 |
2 |
85% |
| icet/tools/training_set_generation.py |
(no function) |
10 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/variable_transformation.py |
_is_site_group_in_orbit |
16 |
1 |
0 |
23 |
1 |
95% |
| icet/tools/variable_transformation.py |
get_transformation_matrix |
27 |
0 |
0 |
18 |
0 |
100% |
| icet/tools/variable_transformation.py |
transform_parameters |
2 |
0 |
0 |
0 |
0 |
100% |
| icet/tools/variable_transformation.py |
(no function) |
10 |
0 |
0 |
0 |
0 |
100% |
| mchammer/__init__.py |
(no function) |
9 |
0 |
0 |
0 |
0 |
100% |
| mchammer/calculators/__init__.py |
(no function) |
4 |
0 |
0 |
0 |
0 |
100% |
| mchammer/calculators/cluster_expansion_calculator.py |
ClusterExpansionCalculator.__init__ |
12 |
0 |
0 |
4 |
0 |
100% |
| mchammer/calculators/cluster_expansion_calculator.py |
ClusterExpansionCalculator.cluster_expansion |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/calculators/cluster_expansion_calculator.py |
ClusterExpansionCalculator.calculate_total |
2 |
0 |
0 |
0 |
0 |
100% |
| mchammer/calculators/cluster_expansion_calculator.py |
ClusterExpansionCalculator.calculate_change |
16 |
4 |
0 |
4 |
0 |
80% |
| mchammer/calculators/cluster_expansion_calculator.py |
ClusterExpansionCalculator._calculate_partial_change |
2 |
0 |
0 |
0 |
0 |
100% |
| mchammer/calculators/cluster_expansion_calculator.py |
ClusterExpansionCalculator.sublattices |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/calculators/cluster_expansion_calculator.py |
(no function) |
18 |
0 |
0 |
0 |
0 |
100% |
| mchammer/calculators/constituent_strain_calculator.py |
ConstituentStrainCalculator.__init__ |
2 |
0 |
0 |
0 |
0 |
100% |
| mchammer/calculators/constituent_strain_calculator.py |
ConstituentStrainCalculator.calculate_total |
3 |
0 |
0 |
0 |
0 |
100% |
| mchammer/calculators/constituent_strain_calculator.py |
ConstituentStrainCalculator.calculate_change |
5 |
0 |
1 |
0 |
0 |
100% |
| mchammer/calculators/constituent_strain_calculator.py |
ConstituentStrainCalculator.accept_change |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/calculators/constituent_strain_calculator.py |
(no function) |
10 |
0 |
0 |
0 |
0 |
100% |
| mchammer/calculators/target_vector_calculator.py |
TargetVectorCalculator.__init__ |
20 |
1 |
0 |
8 |
1 |
93% |
| mchammer/calculators/target_vector_calculator.py |
TargetVectorCalculator.calculate_total |
3 |
0 |
0 |
0 |
0 |
100% |
| mchammer/calculators/target_vector_calculator.py |
TargetVectorCalculator.calculate_change |
0 |
0 |
1 |
0 |
0 |
100% |
| mchammer/calculators/target_vector_calculator.py |
TargetVectorCalculator.sublattices |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/calculators/target_vector_calculator.py |
compare_cluster_vectors |
15 |
0 |
0 |
10 |
0 |
100% |
| mchammer/calculators/target_vector_calculator.py |
(no function) |
14 |
0 |
0 |
0 |
0 |
100% |
| mchammer/configuration_manager.py |
ConfigurationManager.__init__ |
4 |
0 |
0 |
0 |
0 |
100% |
| mchammer/configuration_manager.py |
ConfigurationManager._get_sites_by_species |
7 |
0 |
0 |
6 |
0 |
100% |
| mchammer/configuration_manager.py |
ConfigurationManager.occupations |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/configuration_manager.py |
ConfigurationManager.sublattices |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/configuration_manager.py |
ConfigurationManager.structure |
3 |
0 |
0 |
0 |
0 |
100% |
| mchammer/configuration_manager.py |
ConfigurationManager.get_occupations_on_sublattice |
2 |
0 |
0 |
0 |
0 |
100% |
| mchammer/configuration_manager.py |
ConfigurationManager.is_swap_possible |
5 |
0 |
0 |
4 |
0 |
100% |
| mchammer/configuration_manager.py |
ConfigurationManager.get_swapped_state |
23 |
4 |
0 |
12 |
2 |
83% |
| mchammer/configuration_manager.py |
ConfigurationManager.get_flip_state |
10 |
1 |
0 |
8 |
1 |
89% |
| mchammer/configuration_manager.py |
ConfigurationManager.update_occupations |
15 |
3 |
0 |
8 |
1 |
83% |
| mchammer/configuration_manager.py |
(no function) |
22 |
0 |
0 |
0 |
0 |
100% |
| mchammer/data_analysis.py |
analyze_data |
10 |
0 |
0 |
2 |
0 |
100% |
| mchammer/data_analysis.py |
get_autocorrelation_function |
7 |
0 |
0 |
6 |
0 |
100% |
| mchammer/data_analysis.py |
get_correlation_length |
5 |
0 |
0 |
2 |
0 |
100% |
| mchammer/data_analysis.py |
get_error_estimate |
5 |
0 |
0 |
2 |
0 |
100% |
| mchammer/data_analysis.py |
_estimate_correlation_length_from_acf |
4 |
0 |
0 |
4 |
0 |
100% |
| mchammer/data_analysis.py |
_estimate_error |
3 |
0 |
0 |
0 |
0 |
100% |
| mchammer/data_analysis.py |
(no function) |
10 |
0 |
0 |
0 |
0 |
100% |
| mchammer/data_containers/__init__.py |
(no function) |
2 |
0 |
0 |
0 |
0 |
100% |
| mchammer/data_containers/data_container.py |
DataContainer.analyze_data |
10 |
2 |
0 |
4 |
2 |
71% |
| mchammer/data_containers/data_container.py |
DataContainer.get_average |
4 |
0 |
0 |
2 |
0 |
100% |
| mchammer/data_containers/data_container.py |
(no function) |
6 |
0 |
0 |
0 |
0 |
100% |
| mchammer/data_containers/wang_landau_data_container.py |
WangLandauDataContainer._update_last_state |
6 |
0 |
0 |
0 |
0 |
100% |
| mchammer/data_containers/wang_landau_data_container.py |
WangLandauDataContainer.fill_factor |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/data_containers/wang_landau_data_container.py |
WangLandauDataContainer.fill_factor_history |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/data_containers/wang_landau_data_container.py |
WangLandauDataContainer.get |
25 |
2 |
0 |
22 |
2 |
91% |
| mchammer/data_containers/wang_landau_data_container.py |
WangLandauDataContainer.get.occupation_to_atoms |
3 |
0 |
0 |
0 |
0 |
100% |
| mchammer/data_containers/wang_landau_data_container.py |
WangLandauDataContainer.get_entropy |
19 |
0 |
0 |
12 |
1 |
97% |
| mchammer/data_containers/wang_landau_data_container.py |
WangLandauDataContainer.get_histogram |
6 |
0 |
0 |
2 |
0 |
100% |
| mchammer/data_containers/wang_landau_data_container.py |
WangLandauDataContainer.read |
9 |
0 |
0 |
10 |
0 |
100% |
| mchammer/data_containers/wang_landau_data_container.py |
get_density_of_states_wl |
58 |
0 |
0 |
36 |
0 |
100% |
| mchammer/data_containers/wang_landau_data_container.py |
_extract_filter_data |
6 |
0 |
0 |
2 |
0 |
100% |
| mchammer/data_containers/wang_landau_data_container.py |
get_average_observables_wl |
41 |
0 |
0 |
20 |
0 |
100% |
| mchammer/data_containers/wang_landau_data_container.py |
get_average_observables_wl.check_observables |
5 |
0 |
0 |
6 |
0 |
100% |
| mchammer/data_containers/wang_landau_data_container.py |
get_average_cluster_vectors_wl |
30 |
0 |
0 |
14 |
0 |
100% |
| mchammer/data_containers/wang_landau_data_container.py |
(no function) |
25 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/__init__.py |
(no function) |
10 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/canonical_annealing.py |
CanonicalAnnealing.__init__ |
24 |
3 |
0 |
12 |
3 |
83% |
| mchammer/ensembles/canonical_annealing.py |
CanonicalAnnealing.temperature |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/canonical_annealing.py |
CanonicalAnnealing.T_start |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/canonical_annealing.py |
CanonicalAnnealing.T_stop |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/canonical_annealing.py |
CanonicalAnnealing.n_steps |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/canonical_annealing.py |
CanonicalAnnealing.estimated_ground_state |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/canonical_annealing.py |
CanonicalAnnealing.estimated_ground_state_potential |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/canonical_annealing.py |
CanonicalAnnealing.run |
2 |
0 |
1 |
0 |
0 |
100% |
| mchammer/ensembles/canonical_annealing.py |
CanonicalAnnealing._do_trial_step |
3 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/canonical_annealing.py |
CanonicalAnnealing._get_ensemble_data |
6 |
0 |
0 |
2 |
0 |
100% |
| mchammer/ensembles/canonical_annealing.py |
_cooling_linear |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/canonical_annealing.py |
_cooling_exponential |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/canonical_annealing.py |
(no function) |
27 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/canonical_ensemble.py |
CanonicalEnsemble.__init__ |
10 |
1 |
0 |
6 |
1 |
88% |
| mchammer/ensembles/canonical_ensemble.py |
CanonicalEnsemble.temperature |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/canonical_ensemble.py |
CanonicalEnsemble._do_trial_step |
2 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/canonical_ensemble.py |
(no function) |
11 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/hybrid_ensemble.py |
HybridEnsemble.__init__ |
7 |
0 |
0 |
2 |
0 |
100% |
| mchammer/ensembles/hybrid_ensemble.py |
HybridEnsemble.temperature |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/hybrid_ensemble.py |
HybridEnsemble.probabilities |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/hybrid_ensemble.py |
HybridEnsemble.trial_steps_per_ensemble |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/hybrid_ensemble.py |
HybridEnsemble._process_ensemble_specs |
52 |
2 |
0 |
36 |
2 |
95% |
| mchammer/ensembles/hybrid_ensemble.py |
HybridEnsemble._postprocess_ensemble_args |
18 |
1 |
0 |
16 |
2 |
91% |
| mchammer/ensembles/hybrid_ensemble.py |
HybridEnsemble._check_sublattice_index |
6 |
0 |
0 |
6 |
0 |
100% |
| mchammer/ensembles/hybrid_ensemble.py |
HybridEnsemble._extract_allowed_species |
6 |
0 |
0 |
9 |
0 |
100% |
| mchammer/ensembles/hybrid_ensemble.py |
HybridEnsemble._process_probabilities |
9 |
0 |
0 |
10 |
0 |
100% |
| mchammer/ensembles/hybrid_ensemble.py |
HybridEnsemble._do_trial_step |
6 |
1 |
0 |
4 |
1 |
80% |
| mchammer/ensembles/hybrid_ensemble.py |
HybridEnsemble._get_ensemble_data |
9 |
0 |
0 |
11 |
2 |
90% |
| mchammer/ensembles/hybrid_ensemble.py |
(no function) |
26 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/semi_grand_canonical_ensemble.py |
SemiGrandCanonicalEnsemble.__init__ |
10 |
1 |
0 |
4 |
1 |
86% |
| mchammer/ensembles/semi_grand_canonical_ensemble.py |
SemiGrandCanonicalEnsemble.temperature |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/semi_grand_canonical_ensemble.py |
SemiGrandCanonicalEnsemble._do_trial_step |
2 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/semi_grand_canonical_ensemble.py |
SemiGrandCanonicalEnsemble.chemical_potentials |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/semi_grand_canonical_ensemble.py |
SemiGrandCanonicalEnsemble._get_ensemble_data |
3 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/semi_grand_canonical_ensemble.py |
get_chemical_potentials |
4 |
0 |
0 |
4 |
0 |
100% |
| mchammer/ensembles/semi_grand_canonical_ensemble.py |
(no function) |
17 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/sgc_annealing.py |
SGCAnnealing.__init__ |
24 |
3 |
0 |
10 |
3 |
82% |
| mchammer/ensembles/sgc_annealing.py |
SGCAnnealing.chemical_potentials |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/sgc_annealing.py |
SGCAnnealing.temperature |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/sgc_annealing.py |
SGCAnnealing.estimated_ground_state |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/sgc_annealing.py |
SGCAnnealing.estimated_ground_state_potential |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/sgc_annealing.py |
SGCAnnealing.run |
2 |
0 |
1 |
0 |
0 |
100% |
| mchammer/ensembles/sgc_annealing.py |
SGCAnnealing._do_trial_step |
3 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/sgc_annealing.py |
SGCAnnealing._get_ensemble_data |
7 |
0 |
0 |
2 |
0 |
100% |
| mchammer/ensembles/sgc_annealing.py |
(no function) |
22 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/target_cluster_vector_annealing.py |
TargetClusterVectorAnnealing.__init__ |
22 |
0 |
0 |
8 |
0 |
100% |
| mchammer/ensembles/target_cluster_vector_annealing.py |
TargetClusterVectorAnnealing.generate_structure |
11 |
0 |
0 |
6 |
0 |
100% |
| mchammer/ensembles/target_cluster_vector_annealing.py |
TargetClusterVectorAnnealing._do_trial_step |
14 |
0 |
0 |
4 |
0 |
100% |
| mchammer/ensembles/target_cluster_vector_annealing.py |
TargetClusterVectorAnnealing._acceptance_condition |
6 |
1 |
0 |
4 |
1 |
80% |
| mchammer/ensembles/target_cluster_vector_annealing.py |
TargetClusterVectorAnnealing.temperature |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/target_cluster_vector_annealing.py |
TargetClusterVectorAnnealing.T_start |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/target_cluster_vector_annealing.py |
TargetClusterVectorAnnealing.T_stop |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/target_cluster_vector_annealing.py |
TargetClusterVectorAnnealing.n_steps |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/target_cluster_vector_annealing.py |
TargetClusterVectorAnnealing.total_trials |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/target_cluster_vector_annealing.py |
TargetClusterVectorAnnealing.accepted_trials |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/target_cluster_vector_annealing.py |
TargetClusterVectorAnnealing.current_score |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/target_cluster_vector_annealing.py |
TargetClusterVectorAnnealing.best_score |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/target_cluster_vector_annealing.py |
TargetClusterVectorAnnealing.best_structure |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/target_cluster_vector_annealing.py |
(no function) |
32 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/thermodynamic_integration_ensemble.py |
ThermodynamicIntegrationEnsemble.__init__ |
20 |
1 |
0 |
10 |
1 |
93% |
| mchammer/ensembles/thermodynamic_integration_ensemble.py |
ThermodynamicIntegrationEnsemble.temperature |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/thermodynamic_integration_ensemble.py |
ThermodynamicIntegrationEnsemble.n_steps |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/thermodynamic_integration_ensemble.py |
ThermodynamicIntegrationEnsemble._do_trial_step |
4 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/thermodynamic_integration_ensemble.py |
ThermodynamicIntegrationEnsemble.run |
3 |
1 |
0 |
2 |
1 |
60% |
| mchammer/ensembles/thermodynamic_integration_ensemble.py |
ThermodynamicIntegrationEnsemble._get_ensemble_data |
3 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/thermodynamic_integration_ensemble.py |
(no function) |
18 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/vcsgc_ensemble.py |
VCSGCEnsemble.__init__ |
20 |
1 |
0 |
14 |
1 |
94% |
| mchammer/ensembles/vcsgc_ensemble.py |
VCSGCEnsemble._do_trial_step |
2 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/vcsgc_ensemble.py |
VCSGCEnsemble.temperature |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/vcsgc_ensemble.py |
VCSGCEnsemble.phis |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/vcsgc_ensemble.py |
VCSGCEnsemble.kappa |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/vcsgc_ensemble.py |
VCSGCEnsemble._get_ensemble_data |
4 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/vcsgc_ensemble.py |
get_phis |
10 |
0 |
0 |
8 |
1 |
94% |
| mchammer/ensembles/vcsgc_ensemble.py |
(no function) |
18 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble.__init__ |
47 |
0 |
0 |
26 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble.fill_factor |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble.fill_factor_history |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble.converged |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble.flatness_limit |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble.flatness_limit |
2 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble.fill_factor_limit |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble.fill_factor_limit |
2 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble.flatness_check_interval |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble.flatness_check_interval |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble.run |
3 |
0 |
0 |
2 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble._terminate_sampling |
3 |
0 |
0 |
2 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble._restart_ensemble |
9 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble.write_data_container |
2 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble._acceptance_condition |
41 |
0 |
0 |
22 |
2 |
97% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble._update_entropy |
15 |
0 |
0 |
6 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble._get_bin_index |
3 |
0 |
0 |
2 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble._allow_move |
13 |
0 |
0 |
14 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble._inside_energy_window |
5 |
0 |
0 |
4 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble._do_trial_step |
2 |
0 |
0 |
0 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble._do_swap |
6 |
0 |
0 |
2 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble._do_flip |
6 |
0 |
0 |
2 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble._get_swap_sublattice_probabilities |
10 |
0 |
0 |
8 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
WangLandauEnsemble._get_flip_sublattice_probabilities |
8 |
0 |
0 |
6 |
0 |
100% |
| mchammer/ensembles/wang_landau_ensemble.py |
get_bins_for_parallel_simulations |
15 |
15 |
0 |
8 |
0 |
0% |
| mchammer/ensembles/wang_landau_ensemble.py |
(no function) |
45 |
0 |
0 |
0 |
0 |
100% |
| mchammer/free_energy_tools.py |
_lambda_function_forward |
4 |
0 |
0 |
0 |
0 |
100% |
| mchammer/free_energy_tools.py |
_lambda_function_backward |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/free_energy_tools.py |
_stirling |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/free_energy_tools.py |
_lognpermutations |
4 |
0 |
0 |
2 |
0 |
100% |
| mchammer/free_energy_tools.py |
_npermutations |
4 |
0 |
0 |
2 |
0 |
100% |
| mchammer/free_energy_tools.py |
_ideal_mixing_entropy |
8 |
2 |
0 |
2 |
0 |
80% |
| mchammer/free_energy_tools.py |
_get_atoms_on_sublattice |
9 |
0 |
0 |
4 |
0 |
100% |
| mchammer/free_energy_tools.py |
get_free_energy_thermodynamic_integration |
18 |
0 |
0 |
4 |
0 |
100% |
| mchammer/free_energy_tools.py |
get_free_energy_temperature_integration |
18 |
7 |
0 |
8 |
2 |
58% |
| mchammer/free_energy_tools.py |
(no function) |
21 |
0 |
0 |
0 |
0 |
100% |
| mchammer/observers/__init__.py |
(no function) |
7 |
0 |
0 |
0 |
0 |
100% |
| mchammer/observers/binary_short_range_order_observer.py |
BinaryShortRangeOrderObserver.__init__ |
14 |
0 |
0 |
8 |
0 |
100% |
| mchammer/observers/binary_short_range_order_observer.py |
BinaryShortRangeOrderObserver.get_observable |
24 |
1 |
0 |
10 |
1 |
94% |
| mchammer/observers/binary_short_range_order_observer.py |
BinaryShortRangeOrderObserver._get_concentrations |
10 |
1 |
0 |
6 |
1 |
88% |
| mchammer/observers/binary_short_range_order_observer.py |
BinaryShortRangeOrderObserver._get_atom_count |
9 |
1 |
0 |
6 |
1 |
87% |
| mchammer/observers/binary_short_range_order_observer.py |
(no function) |
13 |
0 |
0 |
0 |
0 |
100% |
| mchammer/observers/cluster_count_observer.py |
ClusterCountObserver.__init__ |
10 |
0 |
0 |
4 |
0 |
100% |
| mchammer/observers/cluster_count_observer.py |
ClusterCountObserver._get_possible_occupations |
7 |
0 |
0 |
2 |
0 |
100% |
| mchammer/observers/cluster_count_observer.py |
ClusterCountObserver.get_cluster_counts |
15 |
0 |
0 |
4 |
0 |
100% |
| mchammer/observers/cluster_count_observer.py |
ClusterCountObserver.get_observable |
3 |
0 |
0 |
2 |
0 |
100% |
| mchammer/observers/cluster_count_observer.py |
(no function) |
14 |
0 |
0 |
0 |
0 |
100% |
| mchammer/observers/cluster_expansion_observer.py |
ClusterExpansionObserver.__init__ |
2 |
0 |
0 |
0 |
0 |
100% |
| mchammer/observers/cluster_expansion_observer.py |
ClusterExpansionObserver.get_observable |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/observers/cluster_expansion_observer.py |
(no function) |
6 |
0 |
0 |
0 |
0 |
100% |
| mchammer/observers/constituent_strain_observer.py |
ConstituentStrainObserver.__init__ |
2 |
0 |
0 |
0 |
0 |
100% |
| mchammer/observers/constituent_strain_observer.py |
ConstituentStrainObserver.get_observable |
3 |
0 |
0 |
0 |
0 |
100% |
| mchammer/observers/constituent_strain_observer.py |
(no function) |
6 |
0 |
0 |
0 |
0 |
100% |
| mchammer/observers/site_occupancy_observer.py |
SiteOccupancyObserver.__init__ |
3 |
0 |
0 |
2 |
0 |
100% |
| mchammer/observers/site_occupancy_observer.py |
SiteOccupancyObserver._set_allowed_species |
14 |
0 |
1 |
8 |
0 |
100% |
| mchammer/observers/site_occupancy_observer.py |
SiteOccupancyObserver.get_observable |
11 |
0 |
0 |
8 |
0 |
100% |
| mchammer/observers/site_occupancy_observer.py |
(no function) |
10 |
0 |
0 |
0 |
0 |
100% |
| mchammer/observers/structure_factor_observer.py |
StructureFactorObserver.__init__ |
25 |
0 |
0 |
26 |
0 |
100% |
| mchammer/observers/structure_factor_observer.py |
StructureFactorObserver._get_Sq_lookup |
10 |
0 |
0 |
6 |
0 |
100% |
| mchammer/observers/structure_factor_observer.py |
StructureFactorObserver._get_indices |
5 |
0 |
0 |
2 |
0 |
100% |
| mchammer/observers/structure_factor_observer.py |
StructureFactorObserver._compute_structure_factor |
18 |
0 |
0 |
12 |
0 |
100% |
| mchammer/observers/structure_factor_observer.py |
StructureFactorObserver.get_observable |
11 |
0 |
0 |
6 |
0 |
100% |
| mchammer/observers/structure_factor_observer.py |
StructureFactorObserver.form_factors |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/observers/structure_factor_observer.py |
StructureFactorObserver.q_points |
1 |
0 |
0 |
0 |
0 |
100% |
| mchammer/observers/structure_factor_observer.py |
StructureFactorObserver.__str__ |
12 |
0 |
0 |
2 |
0 |
100% |
| mchammer/observers/structure_factor_observer.py |
(no function) |
19 |
0 |
0 |
0 |
0 |
100% |