write_benchmark_metrics#
- autoplex.benchmark.phonons.jobs.write_benchmark_metrics(benchmark_structures, metrics, filename_prefix='results_')[source]#
Generate a text file with evaluated benchmark metrics.
- Parameters:
benchmark_structures (List[Structure].) – list of benchmark Structure used for benchmarking.
metrics (List[float]) – root mean squared error between band structures, imagmodesdft-bool and imagmodesml-bool.
filename_prefix (str) – Prefix of the result summary file.
- Return type:
A text file with root mean squared error between DFT and ML potential phonon band-structure