gw_compute_Z_lP_utils.F File Reference

#include "./base/base_uses.f90"

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Modules
module	gw_compute_z_lp_utils
	Shared numerical operations for computing the RI-RS matrix Z_lP.

Functions/Subroutines
subroutine, public	gw_compute_z_lp_utils::build_gram_jacobi_blas (phi_local, n_local_grid, n_ao_used, tikhonov, d_local, d_vec_local)
	Forms the conditioned dense RI-RS matrix.
subroutine, public	gw_compute_z_lp_utils::build_jacobi_diag_from_phi (phi_local, n_local_grid, n_ao_used, d_vec_local)
	Computes d_l = 1/sqrt(D_ll) = 1/Σ_μ Φ_μ(r_l)² without forming D.
subroutine, public	gw_compute_z_lp_utils::scale_rows_by_diag (matrix, diagonal, nrow, ncol)
	Multiplies every matrix row by the corresponding diagonal entry: A(l, :) <- d_l A(l, :).
subroutine, public	gw_compute_z_lp_utils::store_z_lp_columns (mat_z_lp, z_local, local_grid_idx, n_local_grid, n_loc_ri, atom_p, r_blk_sizes, row_offset, eps_filter)
	Stores dense Z_lP columns in the distributed block-sparse matrix.
subroutine, public	gw_compute_z_lp_utils::solve_d_lp_distributed (phi_local, d_vec, d_lp, n_loc, n_ao, n_rhs, tikhonov, para_env_sub, blacs_env_sub, fm_struct_d, fm_struct_b, fm_d, fm_b, info)
	Solves D Z = d with ScaLAPACK for one RI atom and replicated inputs.