Go to the source code of this file.
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module | generic_shg_integrals_init |
| Initialization for solid harmonic Gaussian (SHG) integral scheme. Scheme for calculation of contracted, spherical Gaussian integrals using the solid harmonics. Initialization of the contraction matrices.
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subroutine, public | generic_shg_integrals_init::contraction_matrix_shg (basis, scon_shg) |
| contraction matrix for SHG integrals More...
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subroutine, public | generic_shg_integrals_init::contraction_matrix_shg_mix (orb_basis, ri_basis, orb_index, ri_index, scon_mix) |
| mixed contraction matrix for SHG integrals [aba] and [abb] for orbital and ri basis at the same atom More...
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subroutine, public | generic_shg_integrals_init::contraction_matrix_shg_rx2m (basis, m, scon_shg, scon_rx2m) |
| ... More...
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subroutine, public | generic_shg_integrals_init::get_clebsch_gordon_coefficients (my_cg, cg_none0_list, ncg_none0, maxl1, maxl2) |
| calculate the Clebsch-Gordon (CG) coefficients for expansion of the product of two spherical harmonic Gaussians More...
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