Cleanup.

kenko911 · Feb 17, 2023 · 30baaf9 · 30baaf9
1 parent 6c2d975
commit 30baaf9
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Showing 3 changed files with 6 additions and 4 deletions.
diff --git a/matgl/models/m3gnet.py b/matgl/models/m3gnet.py
@@ -155,7 +155,9 @@ def __init__(
         else:
             if task_type == "classification":
                 raise ValueError("Classification task cannot be extensive")
-            self.final_layer = WeightedReadOut(in_feats=num_node_feats, dims=[units, units], num_targets=num_targets)  # type: ignore
+            self.final_layer = WeightedReadOut(
+                in_feats=num_node_feats, dims=[units, units], num_targets=num_targets  # type: ignore
+            )
         if element_refs is None:
             element_refs = torch.zeros(len(element_types))  # type: ignore
             self.element_ref_calc = AtomRef(property_offset=element_refs)

diff --git a/matgl/models/potential.py b/matgl/models/potential.py
@@ -66,7 +66,7 @@ def forward(self, g: dgl.DGLGraph, graph_attr) -> tuple:
                 s = r.size(0)
                 hessian = total_energies.new_zeros((s, s))
                 for iatom in range(s):
-                    tmp = grad([r[iatom]], g.ndata["pos"], retain_graph=(iatom < s))[0]
+                    tmp = grad([r[iatom]], g.ndata["pos"], retain_graph=iatom < s)[0]
                     if tmp is not None:
                         hessian[iatom] = tmp.view(-1)
         if self.calc_stresses:

diff --git a/pylintrc b/pylintrc
@@ -408,8 +408,8 @@ preferred-modules=
 [EXCEPTIONS]
 
 # Exceptions that will emit a warning when caught.
-overgeneral-exceptions=BaseException,
-                       Exception
+overgeneral-exceptions=builtins.BaseException,
+                       builtins.Exception
 
 
 [REFACTORING]