python3-qcengine 0.21.0-2 (i386 binary) in ubuntu kinetic
QCEngine provides a wrapper to ingest and produce QCSchema for a variety of
quantum chemistry programs, most notably Psi4, NWchem, RDKit and Mopac.
.
Other supported (possibly proprietary) packages include DFTD3, MOLPRO, MPD2,
OpenMM, Q-Chem, Turbomole, xtb, CFour, GAMESS, Terachem and TorchANI.
Details
- Package version:
- 0.21.0-2
- Status:
- Superseded
- Component:
- universe
- Priority:
- Optional
Downloadable files
amd64 build of qcengine 0.21.0-2 in ubuntu jammy PROPOSED produced
these files:
- python3-qcengine_0.21.0-2_all.deb (182.8 KiB)