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Version 3.1.0

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@akohlmey akohlmey released this 18 Sep 15:36
Immutable release. Only release title and notes can be modified.
v3.1.0
b9bbf61

This new major release of LAMMPS-GUI combines the changes from the multiple 3.0.9x beta versions.

Highlights are:

  • Combined main window (optional). A preference -- or the new -j/--joined and -w/--windows command-line flags -- combines the editor and all output views into one main window with dockable panels: charts, image viewer, slide show, and plots of imported data tabbed on the right, output, variables, and command window tabbed across the bottom. Panel proportions are kept across resizes, across closing a panel, and across sessions. F6/Shift-F6 cycle the focus between sections, which is also how the menu bar of a specific view is reached.
  • Command window. A shell prompt with scrollback next to the simulation, with persistent history, Tab completion of commands, file names and earlier command lines, configurable aliases, and kill/interrupt/restart controls. A preference selects which of the installed shells it starts. It also defines open, edit, and plot -- plus gui-open, gui-edit, and gui-plot, which are defined even where the short name is already taken -- to send files from the prompt into a slide show, the editor, or a plot.

Further changes are:

  • the application-wide Run, View, Tutorials, and About menus are now shown in every output window, so a run can be started or stopped from any of them; the Output, Slide Show, and file viewer windows gained a File menu
  • the Preferences entries moved from the Edit menu to the View menu, and the combined main window can be opened maximized
  • the Output and Charts windows are reused across runs instead of being recreated; the options to keep old Output, Charts, and Image windows have been removed
  • ask before opening a file that does not look like what it is being opened as, such as a binary file in the editor or an image in the plotter, instead of filling a window with unreadable content
  • highlight the LAMMPS commands embedded in write_dump and rerun lines
  • step the view angles in the Image Viewer by 5 degrees instead of 10
  • fix LAMMPS screen output capture on Windows, which previously only worked when the GUI was launched from a console; the capture now verifies itself and reports into the Output window when the library's output cannot reach it
  • remember the LAMMPS shared library path per compiler toolchain, so differently built versions of LAMMPS-GUI on one machine no longer silently use each other's library
  • remember separate main window sizes for the two layout styles, and report the selected layout in the About dialog
  • documentation: corrected license and attribution information, regenerated online help index table
  • add support for importing and plotting data files created by LAMMPS' fix ave/* commands
  • add fit to Maxwell-Boltzmann distribution to the Chart post-processing options
  • add Fourier Transform and Structure Factor computation to post-processing options
  • consolidate how to add derived data when importing plot data
  • several minor bug fixes and cleanups

Full Changelog: v3.0.7...v3.1.0


The binary packages attached below include a pre-compiled LAMMPS shared library
with a selection of packages enabled. That library can be replaced with a
different, compatible version using the -p command-line flag or through the
preferences settings, so the GUI can be used with custom-compiled LAMMPS builds
or more recent LAMMPS sources, provided they are recent enough to include all
features required by this version of LAMMPS-GUI. See the online documentation at
https://lammps-gui.lammps.org/ for more information.

If you are looking for LAMMPS-GUI packages with a LAMMPS executable included and
directly linked to LAMMPS, please check out the LAMMPS releases page at
https://github.com/lammps/lammps/releases