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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]