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Compute properties (energy/forces) on series of geometries #1090

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Run time

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Job	Run time
tests (3.9)	15m 25s
pre-commit (3.9)	2m 19s
tests (3.10)	17m 25s
pre-commit (3.10)	2m 29s
tests (3.11)	17m 18s
pre-commit (3.11)	2m 36s
	57m 32s