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A
pyscf\dft\test\test_libxc.py
14 12 -
A
pyscf\dft\test\test_xcfun.py
14 11 -
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examples\pbc\33-soc_integrals.py
14 1 -
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pyscf\pbc\gto\pseudo\split_GTH_POTENTIALS.py
14 2 -
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pyscf\pbc\scf\__init__.py
14 3 -
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pyscf\pbc\scf\test\test_addons.py
14 8 -
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pyscf\lib\sparsetools\m_sparsetools.c
14 2 -
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pyscf\pbc\gw\kgw_slow.py
14 2 -
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examples\tddft\31-energy_transfer_coupling_matrix.py
14 3 -
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pyscf\mrpt\test\test_nevpt2.py
14 6 -
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pyscf\tdscf\test\test_rhf_slow.py
14 1 -
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pyscf\symm\test\test_basis.py
14 4 -
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pyscf\lib\np_helper\omp_reduce.c
14 2 -
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pyscf\pbc\tools\k2gamma.py
14 2 -
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pyscf\ao2mo\__init__.py
14 3 -
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pyscf\pbc\ci\cisd.py
14 4 -
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pyscf\pbc\tdscf\test\test_kproxy_hf.py
14 1 -
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pyscf\pbc\cc\test\test_eom_kuccsd_diag.py
15 3 -
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pyscf\dft\radi.py
15 5 -
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pyscf\pbc\scf\ghf.py
15 6 -