correct caching problem of not handle mutable objects

overreact/coords.py

@@ -2,7 +2,7 @@
 
 # TODO(schneiderfelipe): add types to this module
 from __future__ import annotations
-from functools import lru_cache
+import functools
 
 __all__ = ["find_point_group", "symmetry_number"]
 
@@ -1680,8 +1680,22 @@ def gyradius(atommasses, atomcoords, method="iupac"):
     else:
         msg = f"unavailable method: '{method}'"
         raise ValueError(msg)
-
-@lru_cache()
+
+def ignore_unhashable(func): 
+    uncached = func.__wrapped__
+    attributes = functools.WRAPPER_ASSIGNMENTS + ('cache_info', 'cache_clear')
+    @functools.wraps(func, assigned=attributes) 
+    def wrapper(*args, **kwargs): 
+        try: 
+            return func(*args, **kwargs) 
+        except TypeError as error: 
+            if 'unhashable type' in str(error): 
+                return uncached(*args, **kwargs) 
+            raise 
+    wrapper.__uncached__ = uncached
+    return wrapper
+@ignore_unhashable
+@functools.lru_cache()
 def inertia(atommasses, atomcoords, align=True):
     r"""Calculate primary moments and axes from the inertia tensor.