adapt setup_lj to use check_dimensionality

pyMBE-dev · Apr 1, 2024 · 09c9257 · 09c9257
1 parent 8e49676
commit 09c9257
Showing 1 changed file with 4 additions and 4 deletions.
diff --git a/pyMBE.py b/pyMBE.py
@@ -1252,10 +1252,10 @@ def define_particle(self, name, q=0, acidity='inert', pka=None, sigma=None, epsi
             offset=self.units.Quantity(0, "reduced_length")
 
         # Define LJ parameters
-        parameters_with_dimensionality={"sigma":{"value": sigma, "dimensionality": "length"},
-                                        "cutoff":{"value": cutoff, "dimensionality": "length"},
-                                        "offset":{"value": offset, "dimensionality": "length"},
-                                        "epsilon":{"value": epsilon, "dimensionality": "energy"},}
+        parameters_with_dimensionality={"sigma":{"value": sigma, "dimensionality": "[length]"},
+                                        "cutoff":{"value": cutoff, "dimensionality": "[length]"},
+                                        "offset":{"value": offset, "dimensionality": "[length]"},
+                                        "epsilon":{"value": epsilon, "dimensionality": "[energy]"},}
 
         for parameter_key in parameters_with_dimensionality.keys():
             if parameters_with_dimensionality[parameter_key]["value"] is not None: