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.
The menu command File/Report produced a funny output in the workbook, but not the wanted list of susceptibility parameters. We have changed this feature back to the serious version of the output.
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.
Integral quantities of type ‘Color fluctuation’ and ‘Color angle variation’ can now export their data to the workbook. They generate new worksheets which contain the computed numbers.
The appearance of objects of type “Dominant wavelength” and “Purity” in views could not be edited any more. We are sorry for this and have re-activated the option to change the display mode.
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:
We have removed an irritating “feature” which had caused some trouble in the past: If you worked with KKR susceptibilities and had already selected some of the interband transition parameters as fit parameters, it was not possible to insert new interband models before the existing ones without doing damage to the configuration. It was also not allowed to change the order of interband transition models. These restrictions have been removed.
It was also possible to delete an item inside a KKR susceptibility although a parameter of this item was selected as fit parameter. This caused access violation errors. This issue has been resolved as well.
Pressing F7 to switch from the treeview level back to the main view caused access violations in some cases (without doing damage – it was just annoying). This has been fixed.
Editing objects sometimes means to go through several user dialogs. The behaviour of the ‘Cancel’ button has been changed in some cases: It used to cancel the current dialog and jump to the next one – now a click on ‘Cancel’ shuts down the edit operation completely.
