Maciej Bartkowiak
Maciej Bartkowiak
**Is your feature request related to a problem? Please describe.** A frequently request is to implement a way to calculate phonon dispersion from an MD trajectory. This type of calculation...
**Description of the error** The standard installation of MDANSE_GUI from pypi results in a situation where the mdanse_gui script fails to create the main window on an openSUSE Linux machine...
**Is your feature request related to a problem? Please describe.** The GUI takes user inputs and passes them to the MDANSE configurators. If the inputs are invalid, the offending entries...
By popular demand, MDANSE should have a way of selecting the units it will use for different physical quantities. There is no need to change the way units are handled...
As far as I know, we are planning to replace the current wxWidgets GUI with a Qt-based GUI sooner or later. If everyone agrees, I could volunteer to write a...
**Is your feature request related to a problem? Please describe.** There is different amount of information provided about the system by different MD engines, which requires some converters to compensate...
**Is your feature request related to a problem? Please describe.** It should be possible to change at least the atom types in the chemical system definition. A window/dialog or a...
**Is your feature request related to a problem? Please describe.** At the moment it is only possible to change the atom size and colour for a single atom. **Describe the...
**Description of the error** Converter dialog is an instance of ActionDialog. When multiple widgets are asking for input files, the file dialog starts in the MDANSE_GUI working directory every time....
**Is your feature request related to a problem? Please describe.** Some algorithms like AngularCorrelation require the user to specify which molecule will be used in the analysis, and which atoms...