All posts by Wolfgang

List of fit parameters: New commands in ‘Actions’ submenu

We have added some new commands in the submenu ‘Actions’ which turned out to be practical when fitting many oscillators of organic materials in the infrared.

  • Set active material: Type in the name of a material (must be present in the list of materials) in order to select it for the actions below.
  • Select all parameters: Select all parameters of the active material as fit parameters.
  • Select oscillators: Selects all oscillator parameters of the active material as fit parameters. This is useful while adjusting models for organic materials in the infrared which may may have many oscillators. Manual parameter selection is tedious in such a case. Please note that for Kim oscillators (which are very much recommended) the parameter ‘Gauss-Lorentz switch’ is not selected since we found that in almost all cases absorption bands have a Gaussian line shape which is the default setting of Kim oscillators.
  • Select oscillator strengths: Selects all oscillator strengths of the active material as fit parameters.

Improvements “Multiple spectra view”

Objects of type “Multiple spectra view” do their automatic scaling more clever now, taking into account all active spectra.

These view objects can now be selected by a single mouse click and then scaled using the controls in the status bar, like field view objects. Also the little buttons R (restore graphics), A (automatic scaling) and E (edit graphics parameters) work with these objects.

Working with a separate main view window

We are in middle of the transition to object generation 4.xx which will be delivered with a lot of useful program configurations (and a guide of the user to easily find what is needed). Some of the new configuration files come with explanations in the main view, telling the user what to do in the treeview.

In order to efficiently work with such configurations it is useful to see both the main view and the treeview at the same time. This is now possible with the command ‘Actions/View/Open external view’ which opens a separate window showing the main view. Ideally you push this window to a second monitor (if you have one). Here is an example:

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