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The most disk-intense data are the atom coordinates. Right now, they are stored as lists of 32-bit floats. Converting to half-precision and storing binary numpy arrays should suffice for starters, but one could also discuss custom C structs (something like PDC)
The text was updated successfully, but these errors were encountered:
The most disk-intense data are the atom coordinates. Right now, they are stored as lists of 32-bit floats. Converting to half-precision and storing binary numpy arrays should suffice for starters, but one could also discuss custom C structs (something like PDC)
The text was updated successfully, but these errors were encountered: