We are pleased to announce the release of OpenMD version 1.1.1. This version is largely a bugfix release, and is recommended for all users of OpenMD. New things include:

  • Fixed calls to getCharge for non-charge atoms (triggered by shifted pot / shifted force computations of self-self interactions without point charges on topologically connected molecules).
  • gcc 4.4 compatibility in ProgressBar
  • Revamped the visitor architecture to allow for easier conversion of internal data structures into xyz files for export and display.
  • Added svn revision numbering for banner display.