almo_scf_diis_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
interface	almo_scf_diis_types::almo_scf_diis_init
type	almo_scf_diis_types::almo_scf_diis_type

Modules
module	almo_scf_diis_types
	A DIIS implementation for the ALMO-based SCF methods.

Functions/Subroutines
subroutine	almo_scf_diis_types::almo_scf_diis_init_dbcsr (diis_env, sample_err, sample_var, error_type, max_length)
	initializes the diis structure
subroutine, public	almo_scf_diis_types::almo_scf_diis_push (diis_env, var, err, d_var, d_err)
	adds a variable-error pair to the diis structure
subroutine, public	almo_scf_diis_types::almo_scf_diis_extrapolate (diis_env, extr_var, d_extr_var)
	extrapolates the variable using the saved history
subroutine, public	almo_scf_diis_types::almo_scf_diis_release (diis_env)
	destroys the diis structure