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ProbeReset

TSGut edited this page Jan 15, 2018 · 12 revisions

ProbeReset resets the package in a way, so that the ProbeScan starts a completely new calculation. Additionally it is possible to set a new starting point via StartingPoint. If the option StartingPoint is not specified, the starting point isn't changed. If you want it to change it back to a global minimum of the displacement energy, you can do this by specifying `StartingPoint->"GlobalMinimum".

After the initialization of the package with ProbeInit, a call of ProbeReset is not necessary.

Options

ProbeReset admits the following options:

Options Description
StartingPoint If you want to change the starting point of the calculation, you can change it with this option. In this case you can specify a point in via a List of m values.
Example: StartingPoint->{0.1,0.2,5.}

Example

<< BProbe`

t = PauliMatrix[{1,2,3}];
ProbeInit[t];

Print[ ProbeGetPoints[] ];
(* the result is a list with one point (the starting point) *)

(* do the calculations *)
ProbeScan[];

Print[ ProbeGetPoints[] ];
(* the result is a list consisting of a lot of points *)

(* reset the calculation status *)
ProbeReset[];

Print[ ProbeGetPoints[] ];
(* the result is a list with one point again *)

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