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| NanoLanguage Scripter | Script Editor |
Table of Contents
The Method Editor tool is used for predefining and reusing the NanoLanguage method parameters (for KohnShamMethod and TwoProbeMethod) - such as basis set parameters, mesh cut-off, spin, etc. - when setting up scripts in the NanoLanguage scripter. Generating a NanoLanguage script then reduces to combining a configuration and a predefined “method” in the NanoLanguage scripter tool; in addition, you probably want to add some analysis calculation.
In order to create such a predefined “method”, you need to
Open the Method Editor by double-clicking on the corresponding icon in the VNL Toolbar.
Select the system type you want to create a method for
Select in the open Method Editor the appropriate calculation parameters. The parameters are divided into different groups that can be accessed by the drop-down menu.
Save the settings in your file system by left-clicking Save or Save As; choose a file name descriptive of the selected parameters.
After configuring your method, you can drag-and-drop it on the NanoLanguage Scripter tool to set all the method parameters without having to do so by hand. This is very convenient when you have found a good set of parameters that suits your needs. One way of customizing your method might be to set up one for “rough estimates” and another for “accurate calculations” and reuse these for all your molecule, bulk, or two-probe systems.
The set up of the Method Editor is identical to the Method tab in the NanoLanguage Scripter, with the exception that the system type can be set and changed by the System Type radio buttons on the first line; in the NanoLanguage Scripter, the system type is determined from the configuration added to the NanoLanguage Scripter. For a complete description of all parameters available in the Method tool, consult the section Method parameters in the description of the NanoLanguage Scripter tool.
The Method editor has also most of the basic functional buttons as the NanoLanguage scripter; in the bottom row you can find:
Save: This button creates a “method” from the parameters that have been selected in the editor. When you left-click the button, the file (a NanoLanguage script section) with the associated filename in the Method Editor is overwritten.
Save As: This button creates a “method” from the parameters that have been selected in the tabs. However, instead of overwriting the associated filename, a dialog is launched where you can specify under what name and in what folder you want to create your method (if the file already exists, you are requested to confirm before overwriting).
Restore Defaults: This button resets the “method” parameters to the default values.
Help: Displays help documentation for the active menu or item.
For an example on how one gets the most use of working with the Method Editor, we recommend that you look at the VNL tutorial.
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| NanoLanguage Scripter |
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Script Editor |
