MBX v1.2.0 [2024-08-20]Download v1.2.0

Release Notes

  • Major update: MBX version 1.2 has been released containing significant performance improvements! When running on many OpenMP threads, your many-body simulations may be up to 3-4x as fast! (depending, of course, on your particular hardware)

Changelog

  • Improved ability to exploit OpenMP parallelism throughout MBX, particularly in the reciprocal space electrostatics and polynomial evaluation.
  • Reduced number of particles passed from LAMMPS interface to real space dispersion.
  • Numerous miscellaneous performance improvements.