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/--joinedand-w/--windowscommand-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-F6cycle 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, andplot-- plusgui-open,gui-edit, andgui-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_dumpandrerunlines - 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