add logging info for tag

graeter-group · Jan 9, 2025 · 9883743 · 9883743
1 parent d6360e3
commit 9883743
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/src/kimmdy_grappa/grappa_interface.py b/src/kimmdy_grappa/grappa_interface.py
@@ -19,6 +19,7 @@ def __init__(
         self, *args, grappa_tag: str = "latest", charge_model: str = "amber99", **kwargs
     ):
         super().__init__(*args, **kwargs)
+        logger.info(f"Instantiating Grappa with tag '{grappa_tag}'.")
         grappa_instance = Grappa.from_tag(grappa_tag)
         self.kimmdy_grappa_parameterizer = KimmdyGrappaParameterizer(
             grappa_instance=grappa_instance,