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Catalog

Ecosystem

Each crate is one job. Docs live on that crate. This page is the registry.

I/O and corpora

readcon-core

Versioned CON reader and writer. Shared rkr_* ABI for Rust, C, C++, Python, Julia, and Fortran. docs

readcon-db

Mmap CON and convel corpus. LMDB via Heed, xxHash3 match. Companion to readcon-core. docs

Periodic cells

minimage

Minimum-image convention on a general parallelepiped. LAMMPS bounds plus tilts, CON, ASE, and vesin constructors. Fractional wrap, batched pair distances, vesin image-pair reduction. linkcell and d-SEAMS call it instead of owning a second H. docs

Kinetics

amsel

Absorbing Markov selector. FPTA and MRM kernels for superbasin exit distributions, with a C / C++ / Fortran waist.

ChemGP

Chemically motivated Gaussian processes.

Consumers outside the org

linkcell

Periodic linked-cell k-nearest. Re-exports minimage::Cell for the wrap.

seams-core

d-SEAMS engine. Dump MIC, the ortho batch kernel, and vesin pair reduction go through minimage.