(git:ccc2433)
qs_ot_scf.F File Reference

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Modules

module  qs_ot_scf
 basic functionality for using ot in the scf routines.
 

Functions/Subroutines

subroutine, public qs_ot_scf::ot_scf_read_input (qs_ot_env, scf_section)
 ... More...
 
subroutine, public qs_ot_scf::ot_scf_mini (mo_array, matrix_dedc, smear, matrix_s, energy, energy_only, delta, qs_ot_env)
 ... More...
 
subroutine, public qs_ot_scf::ot_scf_init (mo_array, matrix_s, qs_ot_env, matrix_ks, broyden_adaptive_sigma)
 ... More...
 
subroutine, public qs_ot_scf::ot_scf_destroy (qs_ot_env)
 ... More...