fix: Support CP2K 2025 output format for energy and forces (fixes #850)
#947Comparing
newtontech:fix-cp2k-2025-format-v2
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Unknown Walltime execution environment detected
Using the Walltime instrument on standard Hosted Runners will lead to inconsistent data. For the most accurate results, we recommend using CodSpeed Macro Runners: bare-metal machines fine-tuned for performance measurement consistency.Benchmarks
2 total
test_import
benchmark/test_import.py-2%
11.3 ms11.6 ms
test_cli
benchmark/test_import.py-3%
369.1 ms379.1 ms
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ae134fe
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[pre-commit.ci] auto fixes from pre-commit.com hooks
ac0d5ba
2 days ago
by pre-commit-ci[bot]