qs_mixing_utils.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_mixing_utils

Functions/Subroutines
subroutine, public	qs_mixing_utils::self_consistency_check (rho_ao, p_delta, para_env, p_out, delta)
	...
subroutine, public	qs_mixing_utils::mixing_allocate (qs_env, mixing_method, p_mix_new, p_delta, nspins, mixing_store)
	allocation needed when density mixing is used
subroutine, public	qs_mixing_utils::mixing_density (mixing_store, rho_g, density, auxiliary)
	View the physical density, appending auxiliary coordinates on their owning rank.
subroutine, public	qs_mixing_utils::mixing_init (mixing_method, rho, mixing_store, para_env, rho_atom, auxiliary)
	initialiation needed when gspace mixing is used
elemental subroutine, public	qs_mixing_utils::charge_mixing_init (mixing_store)
	initialiation needed when charge mixing is used