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pyscf
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A
pyscf\cc\test\test_bz.py
2 1 -
A
examples\misc\30-macro_call_in_background.py
2 1 -
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pyscf\lo\test\test_nao.py
2 1 -
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pyscf\lo\test\test_ibo.py
2 3 -
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pyscf\lo\cholesky.py
2 2 -
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examples\mrpt\02-cr2_nevpt2\cr2-scan.py
2 1 -
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examples\geomopt\02-as_pyscf_method.py
1 4 -
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examples\1-advanced\030-transition_dipole.py
1 2 -
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examples\ao2mo\11-ump2.py
1 1 -
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pyscf\solvent\test\test_ddpcm.py
1 1 -
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examples\geomopt\13-ccsd_t.py
1 2 -
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examples\geomopt\20-callback.py
1 2 -
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pyscf\sgx\test\test_sgx.py
1 1 -
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examples\ao2mo\22-rkb_no_pair_ints.py
1 1 -
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examples\pbc\36-ccsd_level_shift.py
1 1 -
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examples\2-benchmark\atomic_configuration\atom_ecp.py
1 1 1
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pyscf\geomopt\test\test_addons.py
1 1 -
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pyscf\grad\rohf.py
1 4 -
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doc_legacy\source\nao\examples\calc_polarizability.py
1 1 3
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examples\scf\24-callback.py
1 1 -