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Module chunk

Module chunk 

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Atoms in chunks: columnar within a chunk, chunked across the structure.

A chunk is at once the unit of storage, of cache residency, of parallel work and of summary statistics. Sized so its hot columns stay in second-level cache while a kernel runs, it bounds the working set by the chunk rather than by the structure — a distance calculation over a ribosome touches the same amount of memory at a time as one over a lysozyme.

Structs§

AtomChunk
A contiguous run of atoms, stored column by column.
AtomChunkStats
Everything a chunk knows about itself without reading a row.
AtomRecord
One atom’s worth of everything a chunk stores.
ChunkBuilder
Accumulates atoms and closes chunks at residue boundaries.
ElementMask
The set of elements present, one bit per atomic number.
Extremes
A running minimum and maximum over values that may not all be recorded.

Enums§

ParentMapping
How an atom’s residue is recovered.

Constants§

TARGET_CHUNK_ATOMS
Atoms per chunk before a new one is started.