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Minor internal change for GUI #57

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Jul 21, 2024
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8 changes: 6 additions & 2 deletions HISTORY.rst
Original file line number Diff line number Diff line change
@@ -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.
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7 changes: 3 additions & 4 deletions lammps_step/tk_nve.py
Original file line number Diff line number Diff line change
Expand Up @@ -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":
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