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MDAnalysis / solvation-analysis

A comprehensive tool for analyzing liquid solvation structure.
https://solvation-analysis.readthedocs.io/en/latest/
GNU General Public License v3.0
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Replace `solvation_data_dup` data frame with only the duplicates #71

Closed orionarcher closed 2 years ago

orionarcher commented 2 years ago

right now we double the memory footprint of solvation_data by also storing solvation_data_dup. We should store only the redundant entries instead.

hmacdope commented 2 years ago

Might be good to add a method to check how much memory we are actually using in the DF. This may be useful https://pandas.pydata.org/docs/reference/api/pandas.DataFrame.memory_usage.html

orionarcher commented 2 years ago

Probably a good idea. I'll look into adding that later. For now, this was closed by PR #70.