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Improve robustness of openmx/md cell parsing and support new output format#967

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wanghan-iapcm merged 10 commits into
deepmodeling:masterfrom
shigeandtomo:openmx-fix
May 6, 2026
Merged

Improve robustness of openmx/md cell parsing and support new output format#967
wanghan-iapcm merged 10 commits into
deepmodeling:masterfrom
shigeandtomo:openmx-fix

Apply ruff formatting

a290ae4
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CodSpeed HQ / CodSpeed Performance Analysis succeeded Apr 19, 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 untouched benchmarks


Comparing shigeandtomo:openmx-fix (a290ae4) with master (e0f56ac)

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