Made the various indices (methods, solvents, calculation types...) si…

…mpler and more error-tolerant
cyllab · Mar 21, 2022 · 9f9f7ad · 9f9f7ad
1 parent e1d327a
commit 9f9f7ad
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Showing 5 changed files with 492 additions and 599 deletions.
diff --git a/ccinput/calculation.py b/ccinput/calculation.py
@@ -182,7 +182,7 @@ def __init__(
 
         self.theory_level = get_theory_level(method)
 
-        if self.theory_level not in ["semi-empirical", "xtb", "special"]:
+        if self.theory_level not in ["semiempirical", "xtb", "special"]:
             self.basis_set = get_abs_basis_set(basis_set)
         else:
             self.basis_set = ""