New LAMMPS stable version 23 June 2022 released

Dear LAMMPS users and developers,

We are pleased to announce a new stable release 23 June 2022.

Highlights of this release:

  • Improved portability. Most of LAMMPS can be compiled natively on Windows with Visual Studio 2022. But also improvements for MacOS, FreeBSD, and others are included. Almost all platform specific code is now included in a separate namespace and a single pair of source files.
  • Improved plugin interface. It is now possible to load plugins automatically as if they were included into the executable. This will allow easier binary packaging of (mostly external) LAMMPS packages without having to have them integrated into the LAMMPS distribution. Also packages using libraries with incompatible licenses can now be distributed as pre-compiled binary when it is a plugin.
  • New and significantly improved packages (in alphabetical order):
    • BPM
    • KOKKOS
  • The MESSAGE package has been removed and its functionality is replaced and extended by the MDI package
  • Post-processing friendly output of thermodynamic data and dump files in YAML format
  • New options for the create_atoms command to avoid overlaps, better select where to add atoms, and create geometries from STL files
  • New option to write dump files at fixed time intervals (and thus a variable number of timesteps when using fix dt/reset or similar)

In addition there are many small improvements, lots of bugfixes, and added features. A detailed summary is here: Release Stable release 23 June 2022 · lammps/lammps · GitHub

We are very grateful to everybody who contributed new and updated code, reported issues, and made suggestions for new features.

The LAMMPS Developers.

Windows installer packages for the new stable release are now available to download at the LAMMPS Windows Installer Repository.

We now also have ready to use plugin package for the ML-PACE packages and the USER-VCSGC package that can be installed alongside and will be loaded automatically.