minimizer_scf_oct_m Module Reference

Data Types
interface	minimizer_scf_t
	Implements a minimizer algorithm for SCF calculations. More...

Functions/Subroutines
type(minimizer_scf_t) function, pointer	minimizer_scf_constructor ()
logical function	minimizer_scf_do_operation (this, operation)
	Try to perform one operation of the algorithm. Return .true. if sucessful. More...

Variables
character(len=algo_label_len), parameter, public	gs_scf_start = 'GS_SCF_START'
character(len=algo_label_len), parameter, public	gs_scf_finish = 'GS_SCF_FINISH'
character(len=algo_label_len), parameter, public	gs_scf_iteration = 'GS_SCF_ITERATION'
type(algorithmic_operation_t), parameter, public	op_gs_start = algorithmic_operation_t(GS_SCF_START, 'Starting ground state SCF')
type(algorithmic_operation_t), parameter, public	op_gs_finish = algorithmic_operation_t(GS_SCF_FINISH, 'Finishing ground state SCF')
type(algorithmic_operation_t), parameter, public	op_gs_scf_iteration = algorithmic_operation_t(GS_SCF_ITERATION, 'SCF iteration for the electrons')

Function/Subroutine Documentation

minimizer_scf_constructor()

type(minimizer_scf_t) function, pointer minimizer_scf_oct_m::minimizer_scf_constructor

private

Definition at line 155 of file minimizer_scf.F90.

minimizer_scf_do_operation()

logical function minimizer_scf_oct_m::minimizer_scf_do_operation ( class(minimizer_scf_t), intent(inout)  this, type(algorithmic_operation_t), intent(in)  operation  )

private

Try to perform one operation of the algorithm. Return .true. if sucessful.

Definition at line 179 of file minimizer_scf.F90.

Variable Documentation

gs_scf_start

character(len=algo_label_len), parameter, public minimizer_scf_oct_m::gs_scf_start = 'GS_SCF_START'

Definition at line 139 of file minimizer_scf.F90.

gs_scf_finish

character(len=algo_label_len), parameter, public minimizer_scf_oct_m::gs_scf_finish = 'GS_SCF_FINISH'

Definition at line 139 of file minimizer_scf.F90.

gs_scf_iteration

character(len=algo_label_len), parameter, public minimizer_scf_oct_m::gs_scf_iteration = 'GS_SCF_ITERATION'

Definition at line 139 of file minimizer_scf.F90.

op_gs_start

type(algorithmic_operation_t), parameter, public minimizer_scf_oct_m::op_gs_start = algorithmic_operation_t(GS_SCF_START, 'Starting ground state SCF')

Definition at line 145 of file minimizer_scf.F90.

op_gs_finish

type(algorithmic_operation_t), parameter, public minimizer_scf_oct_m::op_gs_finish = algorithmic_operation_t(GS_SCF_FINISH, 'Finishing ground state SCF')

Definition at line 145 of file minimizer_scf.F90.

op_gs_scf_iteration

type(algorithmic_operation_t), parameter, public minimizer_scf_oct_m::op_gs_scf_iteration = algorithmic_operation_t(GS_SCF_ITERATION, 'SCF iteration for the electrons')

Definition at line 145 of file minimizer_scf.F90.