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problem with symmetry detection #16

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mdav2 opened this issue Mar 21, 2020 · 0 comments
Open

problem with symmetry detection #16

mdav2 opened this issue Mar 21, 2020 · 0 comments

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@mdav2
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mdav2 commented Mar 21, 2020

Getting an error with atom mapping when trying to make an optimization step. Looks like internal symmetry is implicitly handled during molecule construction. Need to set an option for the point group.
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