LAMMPS-GUI beta release 3.0.99

Dear LAMMPS and LAMMPS-GUI users,

I have posted a beta release of LAMMPS-GUI in anticipation of the upcoming version 3.1. release that will be aligned with the next stable LAMMPS release that is planned for the end of August.

Some highlights:

  • It is now possible to switch between the “traditional” display mode with multiple windows and a MDI interface with just one large subdivided window and tabs.
  • There is a command prompt window where shell commands can be issued, e.g. you can run LAMMPS with mpirun or copy or delete files and a lot more.
  • You can use the Slide Show viewer to view images and animations
  • You can import column oriented data and create (simple) line charts from them using the Chart Viewer. This has been enhanced most recently to be compatible with files from the fix ave/* commands.
  • There are some post-processing steps of the Chart data available, mostly in support of tutorials. E.g. a fit to an equation of state or a Maxwell-Boltzmann distribution.
  • Integration of support for a new series of 18 tutorials with a focus on Materials Science
  • Support for for the many enhancements that were added to the dump image command over the last months, e.g. depth cueing, depth of focus effect, metal surface effect, plastic surface effect outline effect, color maps and much more
  • Fully refactored core code with improved consistency across platforms and light/dark mode support
  • Fully rewritten and improved syntax highlighting with a heuristic pre-run syntax checker and support for dry-run execution of LAMMPS.
  • Support for updating the shared LAMMPS library with regularly updated curated version from lammps.org

As always, feedback and bug reports are welcome.

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There is a new beta release of LAMMPS-GUI which is expected to be the last beta version before the 3.1 release which will be aligned with the next LAMMPS stable release due by the end of the month.

This release has more updates and cleanups for the data plotting mode of the Chart viewer:

  • Add Fourier Transform and Structure Factor computation to post-processing options
  • Consolidate how to add derived data when importing plot data
  • A few minor bug fixes and cleanups

As always, any feedback and bug reports are most appreciated.