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The routine for UNEQUAL type cubes now computes grid point coordinates and step sizes that have at most four non-zero decimal places (a.u.).
This is implemented to decrease numerical inaccuracies when processing the results to construct a PES.

This version also fixes issues with .xml parsing for Molpro that occurred previously.

This version includes a more efficient way of parsing Molpro outputs for energies (.xml instead of .out), and additional error catches.