A bug was fixed which caused Xentark to segfault upon supposedly graceful execution. A major improvement was made to orbital cloud determination. This is valid for use with Vis5D, which does a fine job of visualising molecular orbitals. Minor, but annoying. Although all the old command line parameters apply, and no new computational features have been added, the design is now somewhat different.
Minor bug fixes.
STO-3G now work, this bug has been tracked down. Command line parameters have been added to the Xentark interface to effect this. A bug in the interface which caused the last few lines of data from the daemon to be ignored has been fixed. The Xentark interface can now take a host name as a parameter, not just a raw IP address. It ought to decrease as the optimisation gets closer to convergence.