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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Release files for httk-atomistic 2.1.2
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| File | Size | Uploaded | Provenance | Actions |
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| httk_atomistic-2.1.2.tar.gz | 2.2 MB | With provenance | Details for httk_atomistic-2.1.2.tar.gz |
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| httk_atomistic-2.1.2-py3-none-any.whl | Python 3 | none | any | Details for httk_atomistic-2.1.2-py3-none-any.whl |
Total release size: 4.3 MB
Release files / httk_atomistic-2.1.2.tar.gz
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