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robinzyb / cp2kdata Public

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Support parsing for CP2K 2025 output format#95

Merged

robinzyb merged 5 commits intorobinzyb:mainrobinzyb/cp2kdata:mainfrom

yckbz:mainyckbz/cp2kdata:mainCopy head branch name to clipboard

Feb 9, 2026

Conversation Commits5 (5)Checks Files changed

Merged

Support parsing for CP2K 2025 output format#95
robinzyb merged 5 commits intorobinzyb:mainfrom
yckbz:main

Commits

Commits on Feb 8, 2026

Fix regex pattern for SCF run convergence
yckbz
authored
Update atomic forces regex patterns for parsing
yckbz
authored
Fix regex pattern for energy extraction
yckbz
authored

Commits on Feb 9, 2026

Add files via upload
yckbz
authored
add test case for CP2K 2025 support
yckbz
authored

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