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pyscf
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A
pyscf\mcscf\PiOS.py
65 5 -
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.github\workflows\ci_macos\build_pyscf.sh
 3 1
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pyscf\mcscf\addons.py
111 27 1
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pyscf\agf2\test\test_dfuagf2_beh.py
7 1 -
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pyscf\mcscf\casci.py
149 16 2
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examples\mcscf\16-density_fitting.py
 1 -
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pyscf\mcscf\chkfile.py
12 3 -
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pyscf\agf2\test\test_ragf2_slow_h2o.py
7 1 -
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pyscf\mcscf\dmet_cas.py
33 4 1
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examples\dft\12-camb3lyp.py
 2 -
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pyscf\mcscf\test\test_avas.py
1 1 -
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pyscf\mcscf\test\test_addons.py
34 4 -
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.codecov.yml
 2 -
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.github\workflows\ci_macos\deps_apt.sh
 2 -
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conda\build.sh
 3 -
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examples\1-advanced\018-dmrg_casscf_for_feporph.py
3 1 -
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examples\ao2mo\01-outcore.py
 1 -
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examples\fci\33-rotate_wfn.py
 2 -
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examples\pbc\05-input_pp.py
 1 -
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pyscf\df\__init__.py
1 3 -