Maciej Bartkowiak
Maciej Bartkowiak
**Description of work** Following user feedback, new grouping mechanism has been introduced. The main intention was to make it compatible with the new atom selection mechanism. Affected analysis types: Elastic...
**Description of the error** The same button in the partial charge helper resets the atom selection AND the charges. **Describe the expected result** Two buttons should exist, one for resetting...
**Description of work** Following user feedback, this PR is meant to meant the GUI more responsive by performing some operations in background threads. The main problem is that Qt forbids...
**Is your feature request related to a problem? Please describe.** At the moment, the users have to click on each job in the GUI to view its log. Since we...
**Is your feature request related to a problem? Please describe.** Some inputs don't stop the users from running a calculation, but the results are not likely to be useful. We...
**Description of work** This PR, once complete, will implement a way of storing, previewing and re-using atom selections. The atom selection definitions are meant to be abstract and do not...
**Is your feature request related to a problem? Please describe.** At the moment, the 3D view can only change the size and colour of all the atoms of one type....
**Is your feature request related to a problem? Please describe.** At the moment, the atom trace calculation can be performed for one atom at a time in MDANSE_GUI. The following...
**Is your feature request related to a problem? Please describe.** Users running the jobs without the GUI would like to receive more information about the progress of their jobs. This...
**Description of the error** The new atom selection mechanism in #672 does not work with atom selection in 3D view. **Describe the expected result** Atoms should be added/removed from selection...