Rust implementation of DFTD

The program is a port of the orignal DFT-D3 implementation by the Grimme group (simple-dftd3) to Rust.

References

S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys., 2010,132, 154104 (DOI)

S. Grimme, S. Ehrlich, and L. Goerigk, J. Comput. Chem., 2011, 32, 1456–1465 (DOI)