python3-qcengine binary package in Ubuntu Oracular amd64
QCEngine provides a wrapper to ingest and produce QCSchema for a variety of
quantum chemistry programs, most notably Psi4, NWchem, RDKit and Mopac.
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Other supported (possibly proprietary) packages include DFTD3, MOLPRO, MPD2,
OpenMM, Q-Chem, Turbomole, xtb, CFour, GAMESS, Terachem and TorchANI.
Publishing history
| Date | Status | Target | Component | Section | Priority | Phased updates | Version | ||
|---|---|---|---|---|---|---|---|---|---|
| 2024-04-29 18:55:16 UTC | Published | Ubuntu Oracular amd64 | release | universe | python | Optional | 0.29.0-1 | ||
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