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Consistent behaviour with units

Open davidbowler opened this issue 2 years ago • 1 comments
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We need to make sure that the units that are set (e.g. General.DistanceUnits) are consistent for both input and output, and are applied to all files and output (e.g. coord_next.dat is always output in Bohr radii).

davidbowler avatar Feb 17 '23 15:02 davidbowler

Actually I think that this requires considerable care: we would need to introduce a way to annotate coordinate files with the units they are in, which would in turn require a change of format. This needs thought, and may not ever happen (we may just want units to be in the output file itself).

davidbowler avatar Jul 28 '23 13:07 davidbowler