ri_rs_setup.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	ri_rs_setup
	Builds the shared RI-RS grid, AO collocation and fitting representation.

Functions/Subroutines
subroutine, public	ri_rs_setup::ensure_ri_rs_representation (qs_env, bs_env)
	Populate the RI-RS grid, AO collocation and auxiliary fitting coefficients once. Periodic systems use the same neighbouring-image convention for phi and Z.
subroutine, public	ri_rs_setup::compute_z_lp (qs_env, bs_env, ri_rs_grid_points, mat_phi_mu_l, mat_z_lp, periodic_images)
	Computes Z_lP for (1) a tabulated RI basis set or (2) an on-the-fly generated RI basis set.