Input and output files for the results presented in Tables 1-5 of the paper 'Exploiting Sparsity in Free Energy Basin-Hopping'. Further information on these files can be found in the README files with
A global treatment of the available experimental data on transition frequencies both in the A2Σ+state and in the A2Σ+−X2Π, and B2Σ+−A2Σ+ electronic systems of 16OH molecule was carried out. In this an
Numerical data and plotting scripts for regenerating figures in the article "Geometric direct minimization for low-spin restricted open-shell Hartree–Fock". See README for more details.