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pyscf
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Complexity
Churn
Issues
A
pyscf\adc\__init__.py
15 6 -
A
examples\local_orb\ulocal.py
 2 -
A
pyscf\adc\dfadc.py
10 3 -
A
pyscf\adc\radc_ao2mo.py
26 4 -
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examples\df\11-access_df_tensor.py
 1 -
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examples\mcscf\00-simple_casci.py
 3 -
A
pyscf\adc\test\test_radc\test_H2CO_radc_outcore_small_mem.py
2 2 -
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pyscf\adc\test\test_radc\test_H2O_radc_ea.py
4 2 -
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examples\mcscf\00-simple_casscf.py
 3 -
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pyscf\adc\test\test_radc\test_H2O_radc_ip.py
4 2 -
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pyscf\adc\test\test_radc\test_H2O_radc_outcore.py
4 2 -
A
examples\adc\04-open_shell_different_setup.py
 2 -
A
examples\df\11-get_j_io_free.py
 2 -
A
examples\mcscf\01-for_expensive_fci.py
 1 -
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pyscf\adc\test\test_radc\test_N2_radc_ea.py
5 2 -
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pyscf\adc\test\test_radc\test_N2_radc_ip.py
5 2 -
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examples\mcscf\02-cas_space_spin.py
 1 -
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pyscf\adc\test\test_radc\test_dfadc_N2.py
6 2 -
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pyscf\adc\test\test_uadc\test_N2_uadc_ea.py
5 2 -
A
examples\df\40-precompute_df_integrals.py
 1 -