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..
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pyscf_comparison.ipynb
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.gitignore
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data.py
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import_data.py
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molsturm_sto3g_adc2.py
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psi4_ccpvdz_adc2_spectrum.py
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psi4_ccpvdz_cvs_adc2.py
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psi4_sto3g_adc2.py
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psi4_sto3g_uhf_adc2.py
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pyscf_ccpvdz_adc2_ao_properties.py
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pyscf_ccpvdz_adc2_spectrum.py
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pyscf_ccpvdz_adc3_comparison.py
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pyscf_ccpvdz_fc_adc3.py
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pyscf_ccpvdz_fv_adc3.py
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pyscf_ccpvdz_xes.py
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pyscf_ccpvtz_adc3.py
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pyscf_sto3g_adc1.py
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pyscf_sto3g_adc2.jl
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pyscf_sto3g_adc2.py
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pyscf_sto3g_uhf_adc2.py
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setup_environment.sh
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sto3g_adc1.py
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sto3g_adc2.py
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sto3g_adc2x.py
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sto3g_adc2x_tensor_cache_statistics.py
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sto3g_adc3.py
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sto3g_cvs_adc2.py
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sto3g_fc_adc2.py
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sto3g_uadc2.py
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tpa.py
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veloxchem_ccpvdz_adc2_spectrum.py
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veloxchem_sto3g_adc2.py
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