(git:58e3e09)
qs_scf.F File Reference

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Modules

module  qs_scf
 Routines for the Quickstep SCF run.
 

Functions/Subroutines

subroutine, public qs_scf::scf (qs_env, has_converged, total_scf_steps)
 perform an scf procedure in the given qs_env More...
 
subroutine, public qs_scf::scf_env_do_scf (scf_env, scf_control, qs_env, converged, should_stop, total_scf_steps)
 perform an scf loop More...
 
subroutine, public qs_scf::scf_env_cleanup (scf_env)
 perform cleanup operations (like releasing temporary storage) at the end of the scf More...
 
subroutine, public qs_scf::cdft_scf (qs_env, should_stop)
 perform a CDFT scf procedure in the given qs_env More...