`output_structure` should be Structure and not Series
To reuse a structure we usually take the output_structure
from a property, e.g.
prop_opt = Property energy ((calculator: calc_opt), (structure: struct_in))
struct_opt = prop_opt.output_structure
prop = Property energy, forces ((calculator: calc), (structure: struct_opt))
This causes an error:
Type error: None:: --> struct_opt <--
Parameter "struct_opt" must be an AMML structure
This is because the type of output_structure
is Series (as any property name). In fact, if we take struct_opt = prop_opt.output_structure[0]
there will be no error. But this is not intuitive. AMML parameters such as structure, calculator that are iterable types anyway, should be no Series. If output_structure
is AMML Structure and we want to process only the first element then we can use the same syntax struct_opt = prop_opt.output_structure[0]
as for Series.
Edited by Ivan Kondov