We are pleased to announce the release of OpenMD version 1.1.4. This version is a primarily bugfix release, and is recommended for all users of OpenMD. New things include:

  • Fixed a bug on atomic torques for MPI jobs involving directional (Sticky, GayBerne) atoms.
  • Added a new NPTsz integrator (similar to NPTxyz, but locks the expansion / contraction of the x and y axes together).