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Pointed Point Groups Not Supported #269

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JonathonMisiewicz opened this issue Aug 7, 2024 · 0 comments
Open

Pointed Point Groups Not Supported #269

JonathonMisiewicz opened this issue Aug 7, 2024 · 0 comments

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@JonathonMisiewicz
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Psi4 supports "pointed point groups," where the is point group is augmented by directional information. For example, c2vz specifies that the C2 rotation axis should be taken as the z-axis, even if x or y are also possible C2 axes.

qforte's symmetry utilities don't know how to parse such a thing.
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@JonathonMisiewicz