pele.optimize.Result

class pele.optimize.Result

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.

Methods

clear()
copy()
fromkeys(iterable[, value])	Create a new dictionary with keys from iterable and values set to value.
get(key[, default])	Return the value for key if key is in the dictionary, else default.
items()
keys()
pop(key[, default])	If the key is not found, return the default if given; otherwise, raise a KeyError.
popitem(/)	Remove and return a (key, value) pair as a 2-tuple.
setdefault(key[, default])	Insert key with a value of default if key is not in the dictionary.
update([E, ]**F)	If E is present and has a .keys() method, then does: for k in E.keys(): D[k] = E[k] If E is present and lacks a .keys() method, then does: for k, v in E: D[k] = v In either case, this is followed by: for k in F: D[k] = F[k]
values()

Attributes