pele.optimize.Result

class pele.optimize.Result[source]

A container for the return values of an 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.

Attributes

coords (ndarray) The solution of the optimization.
success (bool) Whether or not the optimizer exited successfully.
status (int) Termination status of the optimizer. Its value depends on the underlying solver. Refer to message for details.
message (str) Description of the cause of the termination.
energy (ndarray) energy at the solution
grad (ndarray) gradient at the solution
nfev (int) Number of evaluations of the function or gradient
nit (int) Number of iterations performed by the optimizer.

Methods

clear(() -> None.  Remove all items from D.)
copy(() -> a shallow copy of D)
fromkeys(...) v defaults to None.
get((k[,d]) -> D[k] if k in D, ...)
has_key((k) -> True if D has a key k, else False)
items(() -> list of D’s (key, value) pairs, ...)
iteritems(() -> an iterator over the (key, ...)
iterkeys(() -> an iterator over the keys of D)
itervalues(...)
keys(() -> list of D’s keys)
pop((k[,d]) -> v, ...) If key is not found, d is returned if given, otherwise KeyError is raised
popitem(() -> (k, v), ...) 2-tuple; but raise KeyError if D is empty.
setdefault((k[,d]) -> D.get(k,d), ...)
update(([E, ...) If E present and has a .keys() method, does: for k in E: D[k] = E[k]
values(() -> list of D’s values)
viewitems(...)
viewkeys(...)
viewvalues(...)

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