Fix for capitalization in drivers' name

cyllab · Feb 10, 2023 · 5d7cec9 · 5d7cec9
1 parent 4626cf7
commit 5d7cec9
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/ccinput/calculation.py b/ccinput/calculation.py
@@ -130,7 +130,7 @@ def __init__(
         else:
             self.aux_name = aux_name
         self.header = header
-        self.driver = driver
+        self.driver = driver.lower()
         self.kwargs = kwargs
 
     def verify_charge_mult(self):

diff --git a/ccinput/wrapper.py b/ccinput/wrapper.py
@@ -37,12 +37,12 @@
     "orca": OrcaCalculation,
     "xtb": XtbCalculation,
     "pysis": PysisDriver,
-    "Pysisyphus": PysisDriver,
+    "pysisyphus": PysisDriver,
 }
 
 
 def process_calculation(calc):
-    if calc.driver in ["none", None, ""]:
+    if calc.driver in ["none", None, ""] or calc.driver == calc.parameters.software:
         cls = SOFTWARE_CLASSES[calc.parameters.software](calc)
     else:
         cls = SOFTWARE_CLASSES[calc.driver](calc)