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)
Fixed Makefile problems with the samples and added several missing makefiles.
converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration
Complete rewrite of spline code and everything that uses it.
Many performance improvements
Changes in Sutton-Chen units
fix make install problem for metals samples
Sutton and Chen should be working now.
Added energy scaling to section parsers.
More Sutton-Chen bug fixes.
added files for sutton-chen