OpenThermo News

Missing file barriertool.cpp was added to source packages today. This file isn't required for building of main executable of OpenThermo, but provides additional utility called BarrierTool. Download updated packages to buid it.

Thanks to Fabian Affolter who found this issue

Development version of OpenThermo was published in SVN repository. It uses new XML format of input file and has additional capabilities for internal rotations.
User's Manual hasn't been completed yet, use files in test_xml directory as examples.

You may safely use all declared features OpenThermo 0.9.12, all results were thoroughly tested.
It's beta release (previous were alpha)
Next version will use XML format for input files

Recently I've found an error in calculation of partition function for internal rotors. It'll be fixed in the next version of OpenThermo.
In any case you should remember that OpenThermo is unstable yet, so you shouldn't apply this program for precise calculations right now