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[pre-commit.ci] auto fixes from pre-commit.com hooks

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fix: Support CP2K 2025 output format for energy and forces (fixes #850) #947

[pre-commit.ci] auto fixes from pre-commit.com hooks
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CodSpeed HQ / CodSpeed Performance Analysis succeeded Mar 3, 2026 in 0s

Performance Gate Passed

⚠️ 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.

⚡ 2 improved benchmarks

Performance Changes

Mode Benchmark BASE HEAD Efficiency
WallTime test_cli 369.1 ms 327.9 ms +12.55%
WallTime test_import 11.3 ms 9.6 ms +18.08%

Comparing newtontech:fix-cp2k-2025-format-v2 (7478a4c) with master (ae134fe)

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