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added new function to obtain first coordination shell while accountin… #205

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merged 12 commits into from
Mar 21, 2024
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Merge branch 'first_shell' of https://github.com/hjkgrp/molSimplify i…

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Merged

added new function to obtain first coordination shell while accountin… #205

Merge branch 'first_shell' of https://github.com/hjkgrp/molSimplify i…
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Codecov / codecov/patch succeeded Mar 21, 2024 in 1s

20.25% of diff hit (target 34.93%)

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20.25% of diff hit (target 34.93%)

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