pele.optimize.result#
- class pele.optimize.result.Result[source]
-
class Result(dict):A container for the return values of an optimizer
- Attributes:
- coordsndarray
The solution of the optimization.
- successbool
Whether or not the optimizer exited successfully.
- statusint
Termination status of the optimizer. Its value depends on the underlying solver. Refer to message for details.
- messagestr
Description of the cause of the termination.
- energyndarray
energy at the solution
- gradndarray
gradient at the solution
- nfevint
Number of evaluations of the function or gradient
- nitint
Number of iterations performed by the optimizer.
Notes
There may be additional attributes not listed above depending of the specific solver.
Also, since this class is essentially a subclass of dict with attribute accessors, one can see which attributes are available using the keys() method.
- Result.__getitem__()[source]
-
def __getitem__(self, i):April 26, 2013
this overloaded function exists only for compatibility with the old quenchers. It should be removed at some point in the future