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Vibrational calculation code #21

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

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Vibrational frequ...

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tommyh-ECL commented Apr 17, 2024

Write the code required to serve vibrational calculation requests. Include all relevant tests to ensure proper handling of all edge cases

tommyh-ECL added this to the Vibrational frequency endpoint milestone

tommyh-ECL assigned Leticia-maria

bruno-ecl added the priority label

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Modify run_dft_opt function to return hessian and frequencies #40

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