Implemented an extension for an automated stochastic docking program (RandomDock) that supports MOPAC, ADF, GAMESS and Gaussian as back-end molecular quantum chemistry engines.Added option to use command-line ssh/scp interfaces when libssh is unavailable or Kerberos authentication is needed.Bundled libssh library removed, now an optional dependency.So for molecular crystals, Id highly recommend using Avogadro2 betas. Typically, most people would rather have a contiguous molecule even if it goes through a unit cell. Updated space-group detection library to spglib 1.0.8. Avogadro uses Open Babel to read CIF files, and unfortunately, OB versions before v3 would break molecules such that all atoms fit within the unit cell.Fix compilation against Qt 4.6.3 and 4.8.0.Incorporated the XtalComp library for duplicate structure removal (niching).Support for GULP shell/core calculations added.More server-friendly method of fetching queue data.Submission of remote calculations is throttled to ease DRMS load.Minimum atomic separation now specified as a fraction of the sum of atomic radii, with a hard minimum.Pages on GitHub: Browse workflow runs on branch master. Ability to “inject” (seed) a structure mid-run You can access this artifact by one of the following links, in the order from least to most direct.Calculate the pressure of the gas if its volume is quadrupled at 307 Kelvin and the amount of gas in the balloon is held constant. New option to replace a failing structure with a new offspring. Consider a 0.41 liter balloon that is pressurized with 1,260 millimeters of mercury of water vapor at 595 Kelvin.Limit the total number of structures created during a run.

Avogadro2 github