Adding experimental branch for calculation of the heatflux based on old version of OpenMD. This will need to be ported to the development branch later.
Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
more openbabel updates, also changing velocitizer to thermalizer to avoid a filename collision on case-insensitve file systems
Added velocitizer utility program, added samples of its use to the builder samples.
Adding samples for builders
fixing missing lattice arguments, adding a builder sample
adding builder samples
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