dm_ls_scf.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	dm_ls_scf
	Routines for a linear scaling quickstep SCF run based on the density matrix.

Functions/Subroutines
subroutine, public	dm_ls_scf::ls_scf (qs_env, nonscf)
	perform an linear scaling scf procedure: entry point
subroutine, public	dm_ls_scf::post_scf_sparsities (ls_scf_env)
	Report on the sparsities of various interesting matrices.
subroutine, public	dm_ls_scf::calculate_w_matrix_ls (matrix_w, ls_scf_env)
	Compute matrix_w as needed for the forces.