New LAMMPS stable version 2 August 2023 released

Dear LAMMPS users and developers,

We are pleased to announce a new stable release 2 August 2022.

Highlights of this release:

  • New packages (in alphabetical order):
    • AMOEBA
    • LEPTON
    • ML-POD
  • Improved packages (in alphabetical order):
    • BPM
    • GPU
    • INTEL
    • KOKKOS
    • ML-PACE
  • Renamed package
    • CG-SDK is now CG-SPICA
  • Removed package:
    • LATTE (superseded by MDI)
  • New LAMMPS GUI (a notepad style text editor with syntax highlighting and built-in LAMMPS)
  • New commands/styles: reset_atoms, angle_write, dihedral_write, fix efield/tip4p, compute dipole/tip4p, compute dipole/tip4p/chunk, compute efield/wolf/atom, fix pimd/langevin, fix sgcmc, fix alchemy, fix pair, pair style xlz, pair style bond/gauss, pair style aip/water/2dm, pair style lj/cut/sphere, lj/expand/sphere.
  • The commands fix shake and fix rattle may now be used during minimization (where the constraint is replaced by a strong restraint force).
  • The Fortran module interface to the LAMMPS C-library interface is now complete.

In addition there are many small improvements, bugfixes and more. A detailed summary is here: Release Stable release 2 August 2023 · lammps/lammps · GitHub and with the individual feature release leading to the stable version.

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

The LAMMPS Developers.