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Refactor code that stores calculator results and updates config_type during generate ops (md, optimize, neb). #753

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Refactor code that stores calculator results and updates config_type during generate ops (md, optimize, neb).

Refactor code that stores calculator results and updates config_type during generate ops (md, optimize, neb). #753

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Job Run time
build-and-test (3.9)
11m 0s
11m 0s