#3 Start-Stop StubQM

[Ben Roberts]

At the moment, stubQM runs in CORBA mode (i.e., it keeps running all the time). This makes it a poor test to check the performance of the PUPIL interface with QM packages that run in start-stop mode, such as Gaussian. A useful addition to the package would be a StubQM that runs in start-stop mode.

J.T.C. has suggested that the best approach might be a shell script that greps a saved Gaussian log file and returns the forces found in the said log file (after having applied appropriate unit conversions).