Pseudopotentials and numeric orbitals for initial guess #499
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This branch implements GTH pseudopotentials with non linear core correction.
We had to implement a new initial guess mechanism that uses numeric atom centered orbitals to start pseudopotential calculations. It also works for all electron calculations.
Let me know if you are interested in merging these features, then I will clean up everything and add some more rigorous testing.
At the moment only OMP is tested, I never checked the results obtained with MPI.