Archive for October, 2010

OpenMD version 1.1.3

We are pleased to announce the release of OpenMD version 1.1.3. This version is a bugfix release, and is recommended for all users of OpenMD. New things include:

  • Fixed a bug in doForces that was causing errors in the total potential
  • Added a count option in StaticProps (useful for counting atoms that match selection criteria)

OpenMD version 1.1.2

We are pleased to announce the release of OpenMD version 1.1.2. This version is largely a bugfix and performance release, and is recommended for all users of OpenMD. New things include:

  • Fixed a bug with FCFLAGS in the configure script
  • Fixed a configure script bug for qhull with C++ compilers
  • Fixed a bug with the conserved quantity in NPTxyz
  • Performance enhancements in main force loop (replaced slow anint with floor & ceiling) (10-20% speedup!)