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subroutine, public | ri_environment_methods::build_ri_matrices (lri_env, qs_env, calculate_forces) |
| creates and initializes an lri_env More...
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subroutine, public | ri_environment_methods::ri_metric_solver (mat, vecr, vecx, matp, solver, ptr) |
| solver for RI systems (R*x=n) More...
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subroutine, public | ri_environment_methods::calculate_ri_densities (lri_env, qs_env, pmatrix, lri_rho_struct, atomic_kind_set, para_env) |
| performs the fitting of the density and distributes the fitted density on the grid More...
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