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Vibrational frequency request/response scaffolding #20

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tommyh-ECL opened this issue Apr 17, 2024 · 0 comments
Open

Vibrational frequency request/response scaffolding #20

tommyh-ECL opened this issue Apr 17, 2024 · 0 comments
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@tommyh-ECL
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Need to define request (e.g. VibrationalEnergyRequest) and response (e.g. VibrationalEnergyResponse) structures that allow users to calculate vibrational frequencies and eigenvectors/modes. Request packet needs to contain enough information to run a vibrational calculation for a given molecule. The response packet needs to contain, at minimum, the vibrational energies and mode vectors.

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