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ElliottKasoar
added
the
new benchmark
Codex-generated pull request Improves documentation to adhere to style guidelines.
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Summary
Benchmark of the density of water-ethanol mixtures using NPT MD, compare to experiment.
Linked issue
Resolves #352
Progress
Do I need to include dispersion correction for relevant models?
Testing
None yet, will test on mace-mp0-a
New decorators/callbacks
None (yet)