Support parsing for CP2K 2025 output format#95
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robinzyb merged 5 commits intorobinzyb:mainfrom Feb 9, 2026
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Owner
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Thank you for contributing. Could you add a pytest case similar to https://github.com/robinzyb/cp2kdata/tree/main/tests/test_dpdata Also could you check the CI above? looks like it has some errors |
Contributor
Author
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Thanks for the feedback! I've added the requested CP2K 2025.1 test case and fixed the parsing bugs that were causing the CI failures. Local tests are passing now. |
Owner
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Thank you for the hardworking. Merged. |
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This PR updates the parsers to support the output format changes introduced in CP2K 2025.1