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Throw error if max_num_neighbors is too small #81

Merged
merged 3 commits into from
May 5, 2022
Merged

Throw error if max_num_neighbors is too small #81

merged 3 commits into from
May 5, 2022

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PhilippThoelke
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This adds an assertion to the neighbor search, which makes sure that no atoms are being missed due to a too small max_num_neighbors parameter.

@PhilippThoelke PhilippThoelke merged commit 8e734eb into main May 5, 2022
@PhilippThoelke PhilippThoelke deleted the neighbor_error branch May 5, 2022 15:49
@PhilippThoelke PhilippThoelke mentioned this pull request May 6, 2022
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@raimis raimis raimis approved these changes

@giadefa giadefa giadefa approved these changes

@stefdoerr stefdoerr Awaiting requested review from stefdoerr

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@PhilippThoelke @raimis @giadefa