Binary package “python3-qcengine” in ubuntu jammy
Quantum chemistry program executor and IO standardizer
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.
Source package
Published versions
- python3-qcengine 0.21.0-2 in amd64 (Proposed)
- python3-qcengine 0.21.0-2 in amd64 (Release)
- python3-qcengine 0.21.0-2 in arm64 (Proposed)
- python3-qcengine 0.21.0-2 in arm64 (Release)
- python3-qcengine 0.21.0-2 in armhf (Proposed)
- python3-qcengine 0.21.0-2 in armhf (Release)
- python3-qcengine 0.21.0-2 in i386 (Proposed)
- python3-qcengine 0.21.0-2 in i386 (Release)
- python3-qcengine 0.21.0-2 in ppc64el (Proposed)
- python3-qcengine 0.21.0-2 in ppc64el (Release)
- python3-qcengine 0.21.0-2 in riscv64 (Proposed)
- python3-qcengine 0.21.0-2 in riscv64 (Release)
- python3-qcengine 0.21.0-2 in s390x (Proposed)
- python3-qcengine 0.21.0-2 in s390x (Release)