Resolve "Clean up handling of parameters and attributes in ensembles"
Summary of changes
This is a list of changes done in this branch:
- Parameters in docstring sorted in the order they are called in the arguments.
-
accepted_trials
,boltzmann_constant
andtotal_trials
have been made private. -
data_container_write_period
is a property with a setter in base ensemble. - Ensemble parameters(temperature, ...) are read-only properties in all ensembles.
-
atoms
andcalculator
are positional arguments without default - PEP3012 was removed and missing keyword exceptions re-implemented
- Attribute section cleared out
Unittest and tutorials (only code part) updated accordingly.
Closes #264 (closed)