Correct 3D thermal conductivity calculation
Correct 3D thermal conductivity calculation

Setting up the 1d code made me realize that I wasn't indexing correctly in the calculation.  When I originally selected atoms i and j, I was inadvertantly selecting a dimension of some atom.  Now the code pulls from the right elements.  Before, it made sense that power driven between two atoms in the x-direction didn't affect the y-dir, for example.

In theory, should increasing the dimensionality increase the thermal conductivity?  I can believe it at first glance: increasing the degrees of freedom gives heat more ways to be transferred.

ajkerr0/kappa,ajkerr0/kappa