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Add options for more benchmark structures to phonon benchmarks #22

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merged 5 commits into from
Jan 26, 2024

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@JaGeo JaGeo commented Jan 26, 2024

This is a pull request that will allow to run more than one phonon benchmark.

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JaGeo commented Jan 26, 2024

@QuantumChemist, you might need to adapt some of the submissions scripts as we now need lists of structures, mpids and so on. Of course, we can write a bit of code to take care of the conversion. But we can now run more than 1 benchmark structure.
It would also be good to run a test for this on the cluster.

@JaGeo JaGeo merged commit 2159ba8 into main Jan 26, 2024
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@JaGeo JaGeo deleted the add_more_benchmark_structures branch October 26, 2024 14:34
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