Add m3ob-test SK-sets #6
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Looks good to me. However, merging to main should be postponed until the corresponding PR for DFTB+ (dftbplus/dftbplus#1325) had been discussed and is also ready to be merged. (Just in case the discussion there has any implication of this PR.) |
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Adding the m3ob-test set, as required for testing the mDFTB routines.