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rename box_array to cell or box #539

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PythonFZ opened this issue Jul 20, 2022 · 1 comment
Open

rename box_array to cell or box #539

PythonFZ opened this issue Jul 20, 2022 · 1 comment
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@PythonFZ
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What feature would you like to see added?

project.experiments.ML_273K.box_array
# I think the following attribute names are more convenient than box_array
project.experiments.ML_273K.box
project.experiments.ML_273K.cell
@PythonFZ PythonFZ added the discussion A general discussion point label Jul 20, 2022
@SamTov
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SamTov commented Jul 20, 2022

So if we go with cell we should probably use all the cell vectors. In general our box arrays are name because it is a single array with three numbers. This is quite bad and not descriptive. Cell is also not incredibly descriptive. I would perhaps consider maybe a dataclass called Geometry or something and within it add the properties of the simulation box.

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