ProbeDirectionalScan

ProbeDirectionalScan is an implementation of a semi-naive scanning procedure that tends to give a good first impression of the locations of local energy minima. It

ProbeDirectionalScan outputs a plot of its data automatically unless ShowAutoPlot is set to False. In any case, the plot of the data can always be regained again later using ProbeShowDirectionalPlot[] and customized plots can be created by obtaining the scan data directly using ProbeGetDirectionalData[].

Arguments

ProbeDirectionalScan has one non-optional argument:

Argument

Description

size_of_each_step

Sets how large each step will be. Lower step size means higher precision scans but higher computational cost. Start at a relatively high stepsize and gradually decrease it until you see structure to not waste computational time. The stepsize has to be a positive real number - if a non-positive or non-real number is entered, the program will take its absolute value as the actual stepsize. Examples: ProbeDirectionalScan[0.5], ProbeDirectionalScan[1,StepNumber->50], ProbeDirectionalScan[0.01,StepNumber->1000,ShowAutoPlot->False].

Options

ProbeDirectionalScan admits the following options:

Options	Description
StepNumber	Set how many steps of length determined by input stepsize are taken in each direction. If a non-natural number is entered, the program takes its absolute value and then its ceiling function to arrive at a natural number. Detault: StepNumber->100 Example: StepNumber->500
ShowAutoPlot	If set to True this will automatically print a ListPlot of the directional scan data. Regardless of this setting, this autoplot can be printed again using the the ProbeShowDirectionalPlot[] command. More customized plots should be created using the ProbeGetDirectionalData[] command. Detault:True Example:ProbeDirectionalScan[0.5,StepNumber->100,ShowAutoPlot->False]