Merge pull request #35 from KaihangShi/main

Update simulation.input
snurr-group · Jul 24, 2024 · 99684ae · 99684ae
2 parents 7429093 + 228311f
commit 99684ae
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/Examples/Ar_MgMOF74_Allegro/simulation.input b/Examples/Ar_MgMOF74_Allegro/simulation.input
@@ -49,4 +49,5 @@ Component 0 MoleculeName             argon
             TranslationProbability   1.0
             ReinsertionProbability   1.0
             SwapProbability          1.0
+            DNNPseudoAtoms           Ar
             CreateNumberOfMolecules  0