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pyscf
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A
pyscf\grad\test\test_casci.py
38 11 -
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examples\scf\11-linear_dep.py
 1 -
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pyscf\grad\test\test_ccsd.py
10 4 -
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examples\cc\14-ccsd_diis.py
 1 -
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pyscf\grad\test\test_dhf.py
3 2 -
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examples\scf\13-symmetry.py
 3 -
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pyscf\grad\test\test_hf.py
9 2 -
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examples\gto\11-basis_info.py
 2 -
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pyscf\grad\test\test_rhf.py
5 2 -
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examples\scf\15-initial_guess.py
 4 -
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pyscf\grad\test\test_rohf.py
2 1 -
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.github\workflows\ci_linux\deps_apt.sh
 1 -
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pyscf\data\nist.py
 5 -
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examples\pbc\04-input_basis.py
 1 -
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pyscf\data\nucprop.py
7 1 -
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pyscf\data\radii.py
 4 -
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examples\scf\17-stability.py
4 2 -
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.codecov.yml
 2 -
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.github\workflows\ci_linux\build_pyscf.sh
 7 1
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.github\workflows\ci_macos\deps_apt.sh
 2 -