Update admp.py

deepmodeling · Oct 24, 2023 · cf07e05 · cf07e05
1 parent 6de2f47
commit cf07e05
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/dmff/generators/admp.py b/dmff/generators/admp.py
@@ -1115,7 +1115,7 @@ def createPotential(
     ):
         methodMap = {
             app.CutoffPeriodic: "CutoffPeriodic",
-            app.CutoffNonPeriodic, "CutoffNonPeriodic",
+            app.CutoffNonPeriodic: "CutoffNonPeriodic",
             app.NoCutoff: "NoCutoff",
             app.PME: "PME",
         }