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include vibrational frequencies from Gaussian calculations #12

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schumannj opened this issue May 30, 2024 · 1 comment
Open

include vibrational frequencies from Gaussian calculations #12

schumannj opened this issue May 30, 2024 · 1 comment

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@schumannj
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There is a class in the electronicparser metainfo x_gaussian_section_frequencies, which should hold the frequencies

@schumannj
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it does hold frequencies, visible when switching to 'code specific view' in NOMAD gui, but the frequencies appear twice plus some empty values, so seems there is a bug in the code.

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