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A
pyscf\grad\test\test_dhf.py
3 2 -
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pyscf\pbc\lib\chkfile.py
3 4 -
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pyscf\grad\test\test_tduhf_grad.py
3 2 -
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pyscf\pbc\dft\test\test_uks.py
3 3 -
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pyscf\pbc\dft\test\test_kuks.py
3 3 -
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pyscf\pbc\ci\test\test_ci.py
3 3 -
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pyscf\pbc\df\test\test_outcore.py
3 4 -
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examples\scf\42-remove_linear_dep.py
3 2 -
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pyscf\gto\test\test_eval_gto.py
3 3 -
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pyscf\hessian\test\test_thermo.py
3 1 -
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pyscf\mp\test\test_f12.py
3 2 -
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pyscf\__init__.py
3 25 -
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doc_legacy\source\nao\examples\xyz2fdf.py
3 1 3
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pyscf\lo\test\test_vvo.py
3 1 -
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examples\mcscf\33-make_init_guess\18-dmet_cas_for_feporph.py
3 1 -
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pyscf\cc\gccsd_t_slow.py
3 5 -
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pyscf\lib\test\test_linalg_helper.py
3 2 -
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pyscf\cc\test\test_2e.py
3 1 -
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pyscf\cc\test\test_ccsd_lambda.py
3 2 -
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pyscf\cc\test\test_uccsd_lambda.py
3 3 -