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Compute properties (energy/forces) on series of geometries #1138

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Run time

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Job	Run time
tests (3.9)	5m 23s
pre-commit (3.9)	1m 51s
tests (3.10)	5m 23s
pre-commit (3.10)	2m 5s
tests (3.11)	5m 39s
pre-commit (3.11)	1m 58s
	22m 19s