Blank change

GreeleyGroup · Sep 21, 2023 · ffac10b · ffac10b
1 parent e98d998
commit ffac10b
Showing 1 changed file with 11 additions and 11 deletions.
diff --git a/src/data.py b/src/data.py
@@ -141,15 +141,15 @@ def get(self, i):
 
     # Create dataset
     dataset = AtomsDataset(data_root_path, prop_csv_path)
-    dataset.process_data(z_cutoffs=[13., 20.], 
-                         node_features=[
-                             ["atomic_number", "dband_center"],
-                             ["atomic_number", "reactivity"],
-                             ["atomic_number", "reactivity"],
-                         ],
-                         edge_features=[
-                             ["bulk_bond_distance"],
-                             ["surface_bond_distance"],
-                             ["adsorbate_bond_distance"],
-                         ])
+    # dataset.process_data(z_cutoffs=[13., 20.], 
+    #                      node_features=[
+    #                          ["atomic_number", "dband_center"],
+    #                          ["atomic_number", "reactivity"],
+    #                          ["atomic_number", "reactivity"],
+    #                      ],
+    #                      edge_features=[
+    #                          ["bulk_bond_distance"],
+    #                          ["surface_bond_distance"],
+    #                          ["adsorbate_bond_distance"],
+    #                      ])
     print(dataset[0][-2].x)