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project.experiments.ML_273K.box_array# I think the following attribute names are more convenient than box_arrayproject.experiments.ML_273K.boxproject.experiments.ML_273K.cell
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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.
What feature would you like to see added?
The text was updated successfully, but these errors were encountered: