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fix: Support CP2K 2025 output format for energy and forces (fixes #850)#978

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fix: Support CP2K 2025 output format for energy and forces (fixes #850)#978
newtontech wants to merge 5 commits into
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newtontech:fix-cp2k-2025-format-v2

fix(cp2k): address review comments for CP2K 2025 format support

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