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pyscf
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Complexity
Churn
Issues
A
pyscf\fci\selected_ci_symm.py
36 10 -
A
examples\qmmm\01-dft.py
 1 -
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pyscf\fci\test\test_addons.py
25 5 -
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examples\1-advanced\033-constrained_dft.py
50 1 -
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pyscf\fci\test\test_direct_nosym.py
4 2 -
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examples\qmmm\03-ccsd.py
 2 -
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pyscf\fci\test\test_selected_ci.py
105 5 -
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examples\gto\00-input_mole.py
 2 -
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pyscf\fci\test\test_spin0_symm.py
3 3 -
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examples\qmmm\05-mp2.py
 1 -
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pyscf\fci\test\test_spin1_symm.py
5 5 -
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examples\cc\10-ao_direct_ccsd.py
 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\qmmm\10-x2c.py
 1 -
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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 -