fixed bug with ecps for gaussian input

Author: ajs99778

theory/basis.py

@@ -783,7 +783,7 @@ def get_gaussian_basis_info(self):
             else:
                 info[GAUSSIAN_ROUTE]["/genecp"] = []
                 try:
-                    info[GAUSSIAN_ROUTE].remove("/gen")
+                    del info[GAUSSIAN_ROUTE]["/gen"]
                 except KeyError:
                     pass
 

theory/theory.py

@@ -887,7 +887,7 @@ def get_gaussian_header(
             elif self.geometry.name:
                 other_kw_dict[GAUSSIAN_COMMENT] = [self.geometry.name]
             else:
-                other_kw_dict[GAUSSIAN_COMMENT] = "comment"
+                other_kw_dict[GAUSSIAN_COMMENT] = ["comment"]
 
         # add EmpiricalDispersion info
         if self.empirical_dispersion is not None: