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LAST BUILD ON BRANCH 274-add-support-for-md-to-cp2k

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Build # 19966679740

Build Type

push

github

Committed by ndaelman-hu

Commit Message

Extract scalar values from MD arrays

New CP2K format returns [instantaneous, average] arrays for MD properties.
Updated get_md_value() to handle numpy arrays and use explicit None checks
to avoid array ambiguity errors.

Run Details

25 of 36 new or added lines in 1 file covered. (69.44%)

117 existing lines in 1 file now uncovered.

36040 of 38766 relevant lines covered (92.97%)

0.93 hits per line