Merge pull request #57 from molssi-seamm/dev

Minor internal change for GUI

HISTORY.rst

@@ -1,12 +1,16 @@
 =======
 History
 =======
+2024.7.21.1 -- Minor internal change for GUI
+   * Switched to new functionality in the SEAMM widgets to simplify the layout of the
+     trajectories panel.
+
 2024.7.21 -- Improved handling of trajectories and results
-   * Improved control over the trajectories of positions, veloicties, etc. to allow the
+   * Improved control over the trajectories of positions, velocities, etc. to allow the
      user to give the number of points in the trajectory rather than the time interval
      of samples
    * Added volume of the cell to properties, and the cell lengths, density, and volume
-     for NVE and NVT, where those parameters don't vary but are nontheless useful in
+     for NVE and NVT, where those parameters don't vary but are nonetheless useful in
      subsequent analysis.
 
 2024.6.28.1 -- Internal release to fix issue making Docker image.

lammps_step/tk_nve.py

@@ -289,10 +289,9 @@ def reset_trajectory_frame(self, widget=None):
                 widgets2.append(self["shear stress rate"])
                 row += 1
 
-        sw.align_labels(widgets, sticky=tk.E)
-        sw.align_labels(widgets2, sticky=tk.E)
-        label_width = self["atomic positions"].grid_bbox(0, 0)[2] - 30
-        frame.columnconfigure(0, minsize=label_width)
+        width1 = sw.align_labels(widgets, sticky=tk.E)
+        width2 = sw.align_labels(widgets2, sticky=tk.E)
+        frame.columnconfigure(0, minsize=width1 - width2 + 30)
 
     def handle_dialog(self, result):
         if result == "OK":