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Dependencies
- h5py >=2.7
- numpy !=1.16,!=1.17,>=1.13
- scipy >=1.6.0
- setuptools
19 optional dependencies
- basis-set-exchange[bse]
- coupled-cluster-py[ccpy]
- cppe[cppe]
- geometric[geomopt]
- pyberny[geomopt]
- pyqmc[pyqmc]
- pyscf[all]
- pyscf-cornell-shci[cornell-shci]
- pyscf-dispersion[dispersion]
- pyscf-doci[doci]
- pyscf-fciqmc[fciqmcscf]
- pyscf-forge[forge]
- pyscf-icmpspt[icmpspt]
- pyscf-nao[nao]
- pyscf-properties[properties]
- pyscf-qsdopt[geomopt]
- pyscf-semiempirical[semiempirical]
- pyscf-shciscf[shciscf]
- pyscf-tblis[tblis]
Used By
- ffsim
- qiskit-addon-sqd
- pyscf-dispersion
- gpu4pyscf-cuda12x
- skala
- bioql
- green-igen
- cudaq-solvers-cu12
- green-mbtools
- pennylane-qchem
- mbd-framework
- quri-parts-pyscf
- quantumsymmetry
- gpu4pyscf-cuda11x
- pyscf-ac0
- pyscfad
- qxmt
- pyqmc
- nablachem
- q2m3
- dopyqo
- project-sunrise
- cudaq-solvers-cu13
- aiida-pyscf
- orbital-play
- tyxonq
- multioptpy
- qibochem
- qmctorch
- deepqmc
- ebcc
- gpu4pyscf-cuda13x
- cpol-pyscf
- coupled-cluster-py
- orbaplaw
- quantum-pipeline
- mnt-bench
- emsuite
- qiskit-nature-pyscf
- emoles
- nbed
- deeperwin
- apdft
- esipython
- qoro-maestro-pyscf
- pyscf-sidereus
- hmpol
- pyqutree
- pyxdh
- polyatomic-complexes