reformat long unpackings

pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py

@@ -850,12 +850,12 @@ def get_pmeshes(self, sites, permutation=None):
         # _vertices = [site.coords for site in sites]
         _vertices = [site.coords for site in sites] if permutation is None else [sites[ii].coords for ii in permutation]
         _face_centers = []
-        number_of_faces = 0
+        n_faces = 0
         for face in self._faces:
             if len(face) in [3, 4]:
-                number_of_faces += 1
+                n_faces += 1
             else:
-                number_of_faces += len(face)
+                n_faces += len(face)
 
             _face_centers.append(
                 np.array([np.mean([_vertices[face_vertex][ii] for face_vertex in face]) for ii in range(3)])
@@ -866,7 +866,7 @@ def get_pmeshes(self, sites, permutation=None):
             out += f"{vv[0]:15.8f} {vv[1]:15.8f} {vv[2]:15.8f}\n"
         for fc in _face_centers:
             out += f"{fc[0]:15.8f} {fc[1]:15.8f} {fc[2]:15.8f}\n"
-        out += f"{number_of_faces}\n"
+        out += f"{n_faces}\n"
         for iface, face in enumerate(self._faces):
             if len(face) == 3:
                 out += "4\n"

pymatgen/analysis/chempot_diagram.py

@@ -118,10 +118,7 @@ def __init__(
         self._min_entries, self._el_refs = self._get_min_entries_and_el_refs(self.entries)
         self._entry_dict = {e.composition.reduced_formula: e for e in self._min_entries}
         self._border_hyperplanes = self._get_border_hyperplanes()
-        (
-            self._hyperplanes,
-            self._hyperplane_entries,
-        ) = self._get_hyperplanes_and_entries()
+        self._hyperplanes, self._hyperplane_entries = self._get_hyperplanes_and_entries()
 
         if self.dim < 2:
             raise ValueError("ChemicalPotentialDiagram currently requires phase diagrams with 2 or more elements!")

pymatgen/analysis/graphs.py

@@ -785,8 +785,8 @@ def get_coordination_of_site(self, n):
         :param n: index of site
         :return (int):
         """
-        number_of_self_loops = sum(1 for n, v in self.graph.edges(n) if n == v)
-        return self.graph.degree(n) - number_of_self_loops
+        n_self_loops = sum(1 for n, v in self.graph.edges(n) if n == v)
+        return self.graph.degree(n) - n_self_loops
 
     def draw_graph_to_file(
         self,
@@ -2440,8 +2440,8 @@ def get_coordination_of_site(self, n):
         :param n: index of site
         :return (int):
         """
-        number_of_self_loops = sum(1 for n, v in self.graph.edges(n) if n == v)
-        return self.graph.degree(n) - number_of_self_loops
+        n_self_loops = sum(1 for n, v in self.graph.edges(n) if n == v)
+        return self.graph.degree(n) - n_self_loops
 
     def draw_graph_to_file(
         self,

pymatgen/analysis/wulff.py

@@ -416,13 +416,7 @@ def get_plot(
         from mpl_toolkits.mplot3d import Axes3D, art3d
 
         colors = self._get_colors(color_set, alpha, off_color, custom_colors=custom_colors or {})
-        (
-            color_list,
-            color_proxy,
-            color_proxy_on_wulff,
-            miller_on_wulff,
-            e_surf_on_wulff,
-        ) = colors
+        color_list, color_proxy, color_proxy_on_wulff, miller_on_wulff, e_surf_on_wulff = colors
 
         if not direction:
             # If direction is not specified, use the miller indices of
@@ -539,13 +533,9 @@ def get_plotly(
             (plotly.graph_objs.Figure)
         """
         units = "Jm⁻²" if units_in_JPERM2 else "eVÅ⁻²"
-        (
-            color_list,
-            color_proxy,
-            color_proxy_on_wulff,
-            miller_on_wulff,
-            e_surf_on_wulff,
-        ) = self._get_colors(color_set, alpha, off_color, custom_colors=custom_colors or {})
+        color_list, color_proxy, color_proxy_on_wulff, miller_on_wulff, e_surf_on_wulff = self._get_colors(
+            color_set, alpha, off_color, custom_colors=custom_colors or {}
+        )
 
         planes_data, color_scale, ticktext, tickvals = [], [], [], []
         for plane in self.facets:

pymatgen/apps/battery/insertion_battery.py

@@ -441,10 +441,7 @@ def from_entries(cls, entry1, entry2, working_ion_entry):
         valence_list = Element(ion_sym).oxidation_states
         working_ion_valence = abs(max(valence_list))
 
-        (
-            framework,
-            norm_charge,
-        ) = frame_charge_comp.get_reduced_composition_and_factor()
+        framework, norm_charge = frame_charge_comp.get_reduced_composition_and_factor()
         norm_discharge = frame_discharge_comp.get_reduced_composition_and_factor()[1]
 
         # Initialize normalized properties

pymatgen/electronic_structure/boltztrap.py

@@ -1931,13 +1931,7 @@ def from_files(path_dir, dos_spin=1):
         Returns:
             a BoltztrapAnalyzer object
         """
-        (
-            run_type,
-            warning,
-            efermi,
-            gap,
-            doping_levels,
-        ) = BoltztrapAnalyzer.parse_outputtrans(path_dir)
+        run_type, warning, efermi, gap, doping_levels = BoltztrapAnalyzer.parse_outputtrans(path_dir)
 
         vol = BoltztrapAnalyzer.parse_struct(path_dir)
 

pymatgen/electronic_structure/boltztrap2.py

@@ -719,12 +719,9 @@ def __init__(
             )
 
             # Compute the Onsager coefficients from those Fermi integrals
-            (
-                self.Conductivity_mu,
-                self.Seebeck_mu,
-                self.Kappa_mu,
-                Hall_mu,
-            ) = BL.calc_Onsager_coefficients(L0, L1, L2, self.mu_r, temp_r, self.volume, Lm11=Lm11)
+            self.Conductivity_mu, self.Seebeck_mu, self.Kappa_mu, Hall_mu = BL.calc_Onsager_coefficients(
+                L0, L1, L2, self.mu_r, temp_r, self.volume, Lm11=Lm11
+            )
 
             # Common properties rescaling
             self.Conductivity_mu *= CRTA  # S / m
@@ -785,12 +782,7 @@ def compute_properties_doping(self, doping, temp_r=None):
         if temp_r is None:
             temp_r = self.temp_r
 
-        (
-            self.Conductivity_doping,
-            self.Seebeck_doping,
-            self.Kappa_doping,
-            self.Carriers_conc_doping,
-        ) = ({}, {}, {}, {})
+        self.Conductivity_doping, self.Seebeck_doping, self.Kappa_doping, self.Carriers_conc_doping = {}, {}, {}, {}
 
         self.Power_Factor_doping, self.Effective_mass_doping = {}, {}
 

pymatgen/io/lobster/lobsterenv.py

@@ -484,14 +484,9 @@ def get_info_cohps_to_neighbors(
         as given by isites and the other parameters
         """
         # TODO: add options for orbital-resolved cohps
-        (
-            summed_icohps,
-            list_icohps,
-            number_bonds,
-            labels,
-            atoms,
-            final_isites,
-        ) = self.get_info_icohps_to_neighbors(isites=isites, onlycation_isites=onlycation_isites)
+        summed_icohps, list_icohps, number_bonds, labels, atoms, final_isites = self.get_info_icohps_to_neighbors(
+            isites=isites, onlycation_isites=onlycation_isites
+        )
 
         import tempfile
 
@@ -720,14 +715,9 @@ def _evaluate_ce(
             raise ValueError("Please give two limits or leave them both at None")
 
         # find environments based on ICOHP values
-        (
-            list_icohps,
-            list_keys,
-            list_lengths,
-            list_neighisite,
-            list_neighsite,
-            list_coords,
-        ) = self._find_environments(additional_condition, lowerlimit, upperlimit, only_bonds_to)
+        list_icohps, list_keys, list_lengths, list_neighisite, list_neighsite, list_coords = self._find_environments(
+            additional_condition, lowerlimit, upperlimit, only_bonds_to
+        )
 
         self.list_icohps = list_icohps
         self.list_lengths = list_lengths

pymatgen/io/lobster/outputs.py

@@ -762,11 +762,7 @@ def __init__(self, filename="lobsterout"):
         self.charge_spilling = chargespilling
         self.total_spilling = totalspilling
 
-        (
-            elements,
-            basistype,
-            basisfunctions,
-        ) = self._get_elements_basistype_basisfunctions(data=data)
+        elements, basistype, basisfunctions = self._get_elements_basistype_basisfunctions(data=data)
         self.elements = elements
         self.basis_type = basistype
         self.basis_functions = basisfunctions
@@ -1440,14 +1436,7 @@ def __init__(self, filename, structure):
         """
         self.filename = filename
         self.structure = structure
-
-        (
-            self.grid,
-            self.points,
-            self.real,
-            self.imaginary,
-            self.distance,
-        ) = Wavefunction._parse_file(filename)
+        self.grid, self.points, self.real, self.imaginary, self.distance = Wavefunction._parse_file(filename)
 
     @staticmethod
     def _parse_file(filename):

pymatgen/io/vasp/outputs.py

@@ -1573,10 +1573,7 @@ def __init__(
                 elif tag == "eigenvalues":
                     self.eigenvalues = self._parse_eigen(elem)
                 elif parse_projected_eigen and tag == "projected":
-                    (
-                        self.projected_eigenvalues,
-                        self.projected_magnetisation,
-                    ) = self._parse_projected_eigen(elem)
+                    self.projected_eigenvalues, self.projected_magnetisation = self._parse_projected_eigen(elem)
                 elif tag == "structure" and elem.attrib.get("name") == "finalpos":
                     self.final_structure = self._parse_structure(elem)
         self.vasp_version = self.generator["version"]