use gemmi for DataSet.compute_dHKL #87
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I'm just changing the behavior of `rs.utils.generate_reciprocal_cell` to - be less wasteful - match the resolutions computed by `rs.DataSet.compute_dHKL`
JBGreisman
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Sep 8, 2021
Fix reversion in dataset.py (#87)
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This PR changes the function used to calculate reflection resolutions in the
DataSet.compute_dHKLmethod. Previously we had used the implementation fromrs.utils.cell. From now on, we should use the one provided bygemmifor consistency because they differ slightly in their numerics.