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Multiple adsorbate placement#39

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Multiple adsorbate placement#39
lancekavalsky wants to merge 29 commits intodevelopfrom
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This PR introduces functions for placing multiple adsorbates at a time (e.g. if you wanted to explicitly model higher surface coverages). This also includes enumeration of the symmetrically unique configurations for placing these adsorbates.

Closes #14

@lancekavalsky lancekavalsky added the enhancement New feature or request label Sep 22, 2022
@lancekavalsky lancekavalsky marked this pull request as ready for review October 31, 2022 21:42
@lancekavalsky lancekavalsky marked this pull request as draft November 23, 2022 20:13
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Multiple Adsorption for Dissociative Mechanisms

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