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The example notebooks should demonstrate "best practices" such as using well-defined readers for common formats. Currently we're reading LAMMPS' .xyz output file with a manual parser built with NumPy. I would prefer to use a reader class from MDAnalysis since that is probably more robust for most trajectory formats.
The text was updated successfully, but these errors were encountered:
The example notebooks should demonstrate "best practices" such as using well-defined readers for common formats. Currently we're reading LAMMPS' .xyz output file with a manual parser built with NumPy. I would prefer to use a reader class from MDAnalysis since that is probably more robust for most trajectory formats.
The text was updated successfully, but these errors were encountered: