add parallelization on get_populated_site #9
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added 6 commits
July 8, 2025 14:05
…imum number of conformer simply by giving Nonu value to conformers_per_site_cap argument.
…llel argument. If None, then not run in parallel.
…rmers and control the number of column. The number of row is fixed by take round number of divisor of the number conformers by number of column.
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I did several small commit where I basically added: The possibility to run in parallel get_populated_sites with joblib without imposing using it, the possibility to create a plot for many conformers with docs_plot_conformers, having kwargs in sym_reduce and the possibility for get_populated to use by default the max number of conformers. |
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