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Ensure periodicity is set correctly #592

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awvwgk merged 1 commit into grimme-lab:main from awvwgk:pbc-dim

Feb 28, 2022

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awvwgk commented Feb 28, 2022

periodic array provided by mctc-lib can be only one element (molecular case)


          Ensure periodicity is set correctly

d6f66e3

- periodic array provided by mctc-lib can be only one element (molecular case)

awvwgk merged commit 325d1c0 into grimme-lab:main

awvwgk deleted the pbc-dim branch

February 28, 2022 09:12

awvwgk added this to the v6.5.0 milestone

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