Path |
Digest |
Size |
pyscfad/__init__.py |
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pyscfad/implicit_diff.py |
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pyscfad/util.py |
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pyscfad/version.py |
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pyscfad/_src/__init__.py |
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pyscfad/_src/_config.py |
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pyscfad/_src/implicit_diff.py |
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pyscfad/_src/scipy/__init__.py |
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pyscfad/_src/scipy/linalg.py |
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pyscfad/_src/scipy/sparse/__init__.py |
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pyscfad/ao2mo/__init__.py |
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pyscfad/ao2mo/_ao2mo.py |
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pyscfad/ao2mo/_ao2mo_opt.py |
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pyscfad/ao2mo/addons.py |
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pyscfad/ao2mo/incore.py |
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pyscfad/backend/__init__.py |
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pyscfad/backend/config.py |
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pyscfad/backend/numpy.py |
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pyscfad/backend/ops.py |
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pyscfad/backend/pytree.py |
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pyscfad/backend/_common/__init__.py |
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pyscfad/backend/_common/core.py |
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pyscfad/backend/_common/pytree.py |
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pyscfad/backend/_cupy/__init__.py |
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pyscfad/backend/_cupy/core.py |
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pyscfad/backend/_jax/__init__.py |
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pyscfad/backend/_jax/core.py |
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pyscfad/backend/_jax/pytree.py |
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pyscfad/backend/_jax/lax/__init__.py |
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pyscfad/backend/_jax/lax/linalg.py |
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pyscfad/backend/_jax/scipy/__init__.py |
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pyscfad/backend/_jax/scipy/linalg.py |
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pyscfad/backend/_numpy/__init__.py |
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pyscfad/backend/_numpy/core.py |
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pyscfad/backend/_torch/__init__.py |
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pyscfad/backend/_torch/core.py |
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pyscfad/backend/_torch/linalg.py |
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pyscfad/backend/_torch/numpy.py |
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pyscfad/cc/__init__.py |
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pyscfad/cc/ccsd.py |
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pyscfad/cc/ccsd_rdm.py |
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pyscfad/cc/ccsd_t.py |
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pyscfad/cc/ccsd_t_slow.py |
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pyscfad/cc/dfccsd.py |
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pyscfad/cc/dfdcsd.py |
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pyscfad/cc/gccsd_t.py |
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pyscfad/cc/rccsd.py |
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pyscfad/cc/rintermediates.py |
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pyscfad/df/__init__.py |
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pyscfad/df/_df_jk_opt.py |
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pyscfad/df/_int3c_cross_opt.py |
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pyscfad/df/addons.py |
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pyscfad/df/df.py |
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pyscfad/df/df_jk.py |
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pyscfad/df/incore.py |
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pyscfad/dft/__init__.py |
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pyscfad/dft/libxc.py |
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pyscfad/dft/numint.py |
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pyscfad/dft/rks.py |
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pyscfad/experimental/__init__.py |
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pyscfad/experimental/util.py |
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pyscfad/fci/__init__.py |
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pyscfad/fci/fci_slow.py |
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pyscfad/geomopt/__init__.py |
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pyscfad/geomopt/geometric_solver.py |
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pyscfad/geomopt/geometric_solver_mpi.py |
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pyscfad/geomopt/log.ini |
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pyscfad/gto/__init__.py |
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pyscfad/gto/_mole_helper.py |
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pyscfad/gto/_moleintor_helper.py |
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pyscfad/gto/_moleintor_jvp.py |
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pyscfad/gto/_moleintor_vjp.py |
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pyscfad/gto/_pyscf_moleintor.py |
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pyscfad/gto/eval_gto.py |
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pyscfad/gto/mole.py |
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pyscfad/gto/moleintor.py |
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pyscfad/gw/__init__.py |
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pyscfad/gw/rpa.py |
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pyscfad/lib/__init__.py |
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pyscfad/lib/_numpy_helper_opt.py |
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pyscfad/lib/chkfile.py |
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pyscfad/lib/diis.py |
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pyscfad/lo/__init__.py |
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pyscfad/lo/boys.py |
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pyscfad/lo/iao.py |
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pyscfad/lo/orth.py |
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pyscfad/lo/pipek.py |
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pyscfad/ml/__init__.py |
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pyscfad/ml/scf/__init__.py |
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pyscfad/ml/scf/hf.py |
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pyscfad/pbc/__init__.py |
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pyscfad/pbc/df/__init__.py |
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pyscfad/pbc/df/fft.py |
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pyscfad/scf/hf.py |
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pyscfad/scf/rohf.py |
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9057 |
pyscfad/scf/uhf.py |
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5017 |
pyscfad/scipy/__init__.py |
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pyscfad/scipy/linalg.py |
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pyscfad/scipy/sparse/__init__.py |
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pyscfad/scipy/sparse/linalg.py |
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pyscfad/soscf/__init__.py |
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pyscfad/soscf/ciah.py |
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pyscfad/tdscf/__init__.py |
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pyscfad/tdscf/rhf.py |
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7333 |
pyscfad/tools/__init__.py |
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pyscfad/tools/linear_solver.py |
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pyscfad/tools/timer.py |
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pyscfad/tools/util.py |
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pyscfad-0.1.8.dist-info/LICENSE |
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pyscfad-0.1.8.dist-info/METADATA |
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pyscfad-0.1.8.dist-info/WHEEL |
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pyscfad-0.1.8.dist-info/top_level.txt |
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pyscfad-0.1.8.dist-info/RECORD |
— |
— |