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.

We are pleased to announce the release of OpenMD version 1.1. This version fixes a number of bugs and provides extended functionality for some of the utility programs. It is recommended for all users of OpenMD. New things include:

• Added a Progress bar to print out how long the simulation has remaining.
• Fixed ConvexHull code and added “select hull” as valid selection syntax.
• Fixed over-specificity in md-solvator and fixed installation bug.
• Fixed parameter typo for minimizer.
• Fixed gradients for minimization of rigid bodies
• Added EAM line for Art Voter’s aluminium potential
• Added NaN / INF detectors to DumpWriter and StatWriter
• Added a new correlation function (gofrz) to do slab-segregated g(r) calculations. This computes at g(r) for pairs while requiring the z coordinates of the two sites to be at fixed separations. The data is output in: r, z, g(r,z).
• Fixed a number of bugs in GhostBend and GhostTorsion.
• Fixed a bug in Torsion (and GhostTorsion) triggered by configurations with colinear atoms. The problem was discovered by Brett Donovan. Thanks, Brett!
• Added a new CosineBendType
• Updated the visitor architecture to make it easier to extend
• Updated Dump2XYZ to output velocities, forces, or vectors if requested.