httk-atomistic
⚠️ EARLY BETA
This is an early beta release of httk₂. The organization of the packages and their APIs should not yet be regarded as stable, and may change between releases.
httk-atomistic is a httk₂ module providing crystal structure representations under the namespace httk.atomistic.
It also provides the atomistic file-I/O layer: reading and writing CIF/mCIF, VASP POSCAR/CONTCAR and outputs (OUTCAR, XDATCAR, OSZICAR, POTCAR, WAVECAR), and trajectory JSONL. The readers and writers register automatically on import httk.core, so httk.core.load and httk.core.save pick them up.
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