Updated gitignore

.gitignore

@@ -3,3 +3,4 @@
 *.csv
 !data/dband_centers.csv
 __pycache__
+*.cif

src/data.py

@@ -25,7 +25,7 @@ def __init__(self, root, prop_csv):
         pro_csv: str
             Path to the file mapping atomic structure filename and property.
             This filename will typically have two columns, the first with the
-            names of the cif files (without .cif) and the second with the
+            names of the cif files and the second with the
             corresponding target property values.
         """
         super().__init__(root)
@@ -80,7 +80,7 @@ def process(self, z_cutoffs, node_features, edge_features, max_atoms=12,
         # Iterate over files and process them
         for i, name in enumerate(self.names):
             # Set file path
-            file_path = self.root_path / name + ".cif"
+            file_path = self.root_path / name
 
             # Read structure
             atoms = read(str(file_path))