861 f.write("[GTO]\n")
862 last_icenter = -1
863 # The shells must be sorted by center.
864 for shell in sorted(obasis.shells, key=(lambda s: s.icenter)):865 if shell.icenter != last_icenter:
866 if last_icenter != -1:
867 f.write("\n")
Extra parentheses in code can be removed for improved readability.
In the examples below, the first example is more readable than the second one.
Preferred:
if len(some_variable) + 1 < 1:
...
Not preferred:
if (len(some_variable) + 1) < 1:
...