Bugfix update VNL-ATK 2016.2

Download it from http://quantumwise.com/products/download as usual.

NOTE: In a sense you don't really need to upgrade unless you have experienced any of the specific problems listed below, which are fairly rare and you will definitely know if you were affected. On the other hand it's always a good idea to run the latest version :-) 

For more information about VNL-ATK 2016, see the original release letter.

2016.2

• The forces are now again printed for each step in an optimization run
• Slight improvements in the installer on Mac

2016.1

Major issues resolved

• OMX basis sets were not scripted properly in Python scripts and NC files. This is fixed + support has been added for opening broken NC files produced by 2016.0 (in case you manually fixed the script problem)
• ATKClassical performed multiple license checkouts when running long MD calculations

Noticeable problems resolved

• MoleculeConfiguration was not handled correctly in "Analysis from file" mode (Script Generator)
• It was not possible to install AddOns from zip files (Local install)
• The k-point widget in Script Generator
  • The printed number of k-points was not consistent with the shown list of k-points
  • Symmetry detection was too slow
• Job Manager could not always kill running local jobs on Mac

Less noticeable, still annoying - but now fixed

• Ensure we call MPI_Finalize only on clean shutdowns - solves a truncation of log files that appears due to long "nlprints" when running in parallel and removes warnings when running in parallel on Windows
• Set last update positions and lattice when using BulkConfiguration.repeat (ensures you can use a repeated bulk configuration as initial_state)
• Fix nlsave for surface configuration with principal layer set
• Graphic properties widget resize issues fixed
• POVRay issues on Windows, related to quoting the arguments, fixed by using an ini file

Mainly technical updates

• Correction to "processes per pole" in PEXSI
• Fixed exception handler on Mac, so that startup error messages and crashlogs can be shown
• Links updated in VNL to reflect the new documentation site docs.quantumwise.com
• Ensure version numbers are correctly ordered
• Disabling Huckel/Slater-Koster for surface configurations
• A couple of minor technical updates

Known remaining bugs

• Unicode support in VNL is still patchy; we're working on allowing unicode in your username, the install dir, and the working dir, but at least now you get better error messages
• The polyhedra plots can behave a bit odd if you turn on/off visibility of atoms
• Some graphical issues on 4k monitors
• Running a dynamical matrix calculation using ATKClassical, you get a lot of empty displacement log files
• Running a script in the Job Manager that is supposed to pop up a MatPlotLib plot fails to do so (simple fix for the script available)
• and a few more smaller things