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pyscf
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Complexity
Churn
Issues
A
pyscf\adc\dfadc.py
10 3 -
A
pyscf\lib\np_helper\transpose.c
24 1 -
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examples\local_orb\ulocal.py
 2 -
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pyscf\lib\parameters.py
 2 -
A
pyscf\adc\radc_ao2mo.py
26 4 -
A
pyscf\lib\pbc\fill_ints_sr.c
194 2 3
A
examples\df\11-access_df_tensor.py
 1 -
A
pyscf\lib\pbc\grid_ao.c
74 4 2
A
pyscf\adc\test\test_radc\test_H2O_radc_ea.py
4 2 -
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pyscf\lib\pbc\optimizer.c
10 1 -
A
examples\mcscf\00-simple_casscf.py
 3 -
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pyscf\data\radii.py
 4 -
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pyscf\adc\test\test_radc\test_H2O_radc_outcore.py
4 2 -
A
.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 -
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conda\build.sh
 3 -
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examples\1-advanced\018-dmrg_casscf_for_feporph.py
3 1 -
A
examples\ao2mo\01-outcore.py
 1 -
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examples\fci\33-rotate_wfn.py
 2 -