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libcint 0.2.3
FFI binding and GTO wrapper for libcint (C library)
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..
generate_cecp_header.py
generate_libcint_header.py
pyscf_c10h22_qzvp_gto.ipynb
pyscf_c10h22_qzvp_gto_complex.ipynb
pyscf_cross_integral.ipynb
pyscf_h2o_rhf.py
pyscf_h2o_tzvp.ipynb
pyscf_h2o_tzvp_grids.ipynb
pyscf_h2o_tzvp_row_major.ipynb
pyscf_sb2me4_pvtz.ipynb
pyscf_sb2me4_pvtz_gto.ipynb
pyscf_sb2me4_pvtz_gto_complex.ipynb
pyscf_special_change.ipynb
pyscf_special_na_ecpso.ipynb