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inconsistent data types from zmat #18

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AlexHeide opened this issue Mar 22, 2023 · 0 comments
Open

inconsistent data types from zmat #18

AlexHeide opened this issue Mar 22, 2023 · 0 comments

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@AlexHeide
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The coordinate indices can be lists of sets of indices, lists of lists of indices or 2D numpy arrays of indices depending on the type of zmatrix being constructed. A single datatype should be chosen and the test_zmat be updated.

Currently #15 is using reference values of list[list[str] for zmat and redundant, casts numpy arrays to list for redundant, and uses list[set[str]] for custom zmats.

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