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Add XDATCAR trajectory selection - #128
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Summary
Adds direct selection support for existing VASP AIMD XDATCAR trajectories.
sampling.selection.trajectory_format, includingvasp-xdatcar, so XDATCAR content can be read even when the filename is nonstandard.sampling.selection.count, alongside fixed-strideintervalsampling.Impact
Users can thin AIMD-generated XDATCAR files directly with either farthest point sampling or evenly spaced sampling before SCF setup, without first converting the trajectory manually.
Validation
python -m ruff check .python -m pytesttrajectory_format: vasp-xdatcar, reading 2 frames with 129 atoms per frame and writingselected.xyzplusmanifest.jsonl.