minimizer_factory_oct_m Module Reference

This module implements the factory for ground state algorithm. More...

Detailed Description

This module implements the factory for ground state algorithm.

Data Types
interface	minimizer_factory_t
	This class defines the factory for minimizers. More...

Functions/Subroutines
type(minimizer_factory_t) function	minimizer_factory_constructor (namespace)
	Constructor for the minimizer factory. More...
class(algorithm_t) function, pointer	minimizer_factory_create (this, system)
	Create a ground-state algorithm. More...
class(algorithm_t) function, pointer	minimizer_factory_create_static (this, system)
	Create a static minimizer. More...

Variables
integer, parameter, public	ground_state_static = 0
integer, parameter, public	ground_state_scf = 1

Function/Subroutine Documentation

minimizer_factory_constructor()

type(minimizer_factory_t) function minimizer_factory_oct_m::minimizer_factory_constructor ( type(namespace_t), intent(in)  namespace )

private

Constructor for the minimizer factory.

reads MaximumIter from the input file

Definition at line 167 of file minimizer_factory.F90.

minimizer_factory_create()

class(algorithm_t) function, pointer minimizer_factory_oct_m::minimizer_factory_create ( class(minimizer_factory_t), intent(in)  this, class(interaction_partner_t), intent(in), target  system  )

private

Create a ground-state algorithm.

Parameters

[in]	this	the factory
[in]	system	the system using the minimizer

Returns

the newly created minimizer

Definition at line 183 of file minimizer_factory.F90.

minimizer_factory_create_static()

class(algorithm_t) function, pointer minimizer_factory_oct_m::minimizer_factory_create_static ( class(minimizer_factory_t), intent(in)  this, class(interaction_partner_t), intent(in), target  system  )

private

Create a static minimizer.

A static minimizer is needed for consistency for systems which do not change during an SCF procedure. One special example is the multisystem container, which itself can be kept static, as its components are updated.

Parameters

[in]	this	the factory
[in]	system	the system using the algorithm

Returns

the newly created algorithm

Definition at line 247 of file minimizer_factory.F90.

Variable Documentation

ground_state_static

integer, parameter, public minimizer_factory_oct_m::ground_state_static = 0

Definition at line 142 of file minimizer_factory.F90.

ground_state_scf

integer, parameter, public minimizer_factory_oct_m::ground_state_scf = 1

Definition at line 142 of file minimizer_factory.F90.