(git:e7e05ae)
qs_mixing_utils.F File Reference

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Modules

module  qs_mixing_utils
 

Functions/Subroutines

subroutine, public qs_mixing_utils::self_consistency_check (rho_ao, p_delta, para_env, p_out, delta)
 ... More...
 
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 More...
 
subroutine, public qs_mixing_utils::mixing_init (mixing_method, rho, mixing_store, para_env, rho_atom)
 initialiation needed when gspace mixing is used More...
 
elemental subroutine, public qs_mixing_utils::charge_mixing_init (mixing_store)
 initialiation needed when charge mixing is used More...