Fix calcPath to calc_path in arkane and toluene example.

rwest · Aug 3, 2023 · 4956f72 · 4956f72
1 parent daf9bc1
commit 4956f72
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/arkane/statmech.py b/arkane/statmech.py
@@ -252,9 +252,9 @@ def hinderedRotor2D(scandir, pivots1, top1, symmetry1, pivots2, top2, symmetry2,
     return [scandir, pivots1, top1, symmetry1, pivots2, top2, symmetry2, symmetry]
 
 
-def hinderedRotorClassicalND(calcPath, pivots, tops, sigmas, semiclassical):
+def hinderedRotorClassicalND(calc_path, pivots, tops, sigmas, semiclassical):
     """Read an N dimensional hindered rotor directive, and return the attributes in a list"""
-    return [calcPath, pivots, tops, sigmas, semiclassical]
+    return [calc_path, pivots, tops, sigmas, semiclassical]
 
 
 class StatMechJob(object):

diff --git a/examples/arkane/species/Toulene_Hindered_Rotor_SemiClassicalND/toluene_HinderedRotor.py b/examples/arkane/species/Toulene_Hindered_Rotor_SemiClassicalND/toluene_HinderedRotor.py
@@ -20,4 +20,4 @@
 
 frequencies = Log('TolueneFreq.log')
 
-rotors = [HinderedRotorClassicalND(calcPath='TolueneRot1.log', pivots=[[3,12]], tops=[[12,13,14,15]], sigmas=[6], semiclassical=True)]
+rotors = [HinderedRotorClassicalND(calc_path="TolueneRot1.log", pivots=[[3, 12]], tops=[[12, 13, 14, 15]], sigmas=[6], semiclassical=True)]