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add number of corr functions for sorting orbits, update max_lp and fix hierarchy tests #256

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merged 2 commits into from
Sep 3, 2022

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lbluque
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@lbluque lbluque commented Sep 2, 2022

  • fixed hierarchy tests from fix Fix generation of orbits #255
  • updated max_lp in cluster search to max distance to site.
  • add number of corr functions for sorting orbits. This will changes the order of correlation functions!

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@lbluque lbluque requested a review from qchempku2017 September 2, 2022 20:54
@lbluque lbluque changed the title fix hierarchy tests and update max_lp add number of corr functions for sorting orbits, update max_lp and fix hierarchy tests Sep 3, 2022
@lbluque lbluque merged commit acabcc3 into CederGroupHub:main Sep 3, 2022
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Why is it necessary to change the ordering of orbits? Will this change make the old smol cluster subspace file and coefficients file invalid? If so, how can we rescue our old saves?

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