propagator_factory_oct_m Module Reference

This module implements the factory for propagators. More...

Detailed Description

This module implements the factory for propagators.

Data Types
interface	propagator_factory_t
	This class defines the factory for propagators. More...

Functions/Subroutines
type(propagator_factory_t) function	propagator_factory_constructor (namespace)
	Constructor for the propagator factory. More...
class(algorithm_t) function, pointer	propagator_factory_create (this, system)
	Create a general propagator. More...
class(algorithm_t) function, pointer	propagator_factory_create_static (this, system)
	Create a static propagator. More...
real(real64) function	propagator_factory_read_dt (this, namespace)
	auxilliary function to read the time step from the input file More...

Variables
integer, parameter, public	prop_static = 0
integer, parameter, public	prop_verlet = 1
integer, parameter, public	prop_beeman = 2
integer, parameter, public	prop_beeman_scf = 3
integer, parameter, public	prop_expmid_2step = 4
integer, parameter, public	prop_expmid_2step_scf = 5
integer, parameter, public	prop_aetrs_ms = 6
integer, parameter, public	prop_rk4 = 7
integer, parameter, public	prop_expmid = 8
integer, parameter, public	prop_leapfrog = 9
integer, parameter, public	prop_bomd = 10
integer, parameter, public	prop_expgauss1 = 11
integer, parameter, public	prop_expgauss2 = 12

Function/Subroutine Documentation

propagator_factory_constructor()

type(propagator_factory_t) function propagator_factory_oct_m::propagator_factory_constructor ( type(namespace_t), intent(in)  namespace )

private

Constructor for the propagator factory.

reads TDPropagationTime from the input file

Definition at line 193 of file propagator_factory.F90.

propagator_factory_create()

class(algorithm_t) function, pointer propagator_factory_oct_m::propagator_factory_create ( class(propagator_factory_t), intent(in)  this, class(interaction_partner_t), intent(in), target  system  )

private

Create a general propagator.

The specific propagator, to be created, is determined from the input variable TDSystemPropagator.

Note

We need to pass the system as an interaction_partner_t, but we can only create a propagator for systems.

We need to pass the resulting propagator as algorithm, as this method is a deferred method of the algorithm_factory.

Parameters

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

Returns

the newly created propagator

Definition at line 223 of file propagator_factory.F90.

propagator_factory_create_static()

class(algorithm_t) function, pointer propagator_factory_oct_m::propagator_factory_create_static ( class(propagator_factory_t), intent(in)  this, class(interaction_partner_t), intent(in), target  system  )

private

Create a static propagator.

A static propagator is needed for consistency for systems which do not depend on time. One special example is the multisystem container, which itself can be kept static, as its components are propagated (in case of no self-consistent propagation of the subsystems).

Parameters

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

Returns

the newly created algorithm

Definition at line 336 of file propagator_factory.F90.

propagator_factory_read_dt()

real(real64) function propagator_factory_oct_m::propagator_factory_read_dt ( class(propagator_factory_t), intent(in)  this, type(namespace_t), intent(in)  namespace  )

private

auxilliary function to read the time step from the input file

Definition at line 388 of file propagator_factory.F90.

Variable Documentation

prop_static

integer, parameter, public propagator_factory_oct_m::prop_static = 0

Definition at line 157 of file propagator_factory.F90.

prop_verlet

integer, parameter, public propagator_factory_oct_m::prop_verlet = 1

Definition at line 157 of file propagator_factory.F90.

prop_beeman

integer, parameter, public propagator_factory_oct_m::prop_beeman = 2

Definition at line 157 of file propagator_factory.F90.

prop_beeman_scf

integer, parameter, public propagator_factory_oct_m::prop_beeman_scf = 3

Definition at line 157 of file propagator_factory.F90.

prop_expmid_2step

integer, parameter, public propagator_factory_oct_m::prop_expmid_2step = 4

Definition at line 157 of file propagator_factory.F90.

prop_expmid_2step_scf

integer, parameter, public propagator_factory_oct_m::prop_expmid_2step_scf = 5

Definition at line 157 of file propagator_factory.F90.

prop_aetrs_ms

integer, parameter, public propagator_factory_oct_m::prop_aetrs_ms = 6

Definition at line 157 of file propagator_factory.F90.

prop_rk4

integer, parameter, public propagator_factory_oct_m::prop_rk4 = 7

Definition at line 157 of file propagator_factory.F90.

prop_expmid

integer, parameter, public propagator_factory_oct_m::prop_expmid = 8

Definition at line 157 of file propagator_factory.F90.

prop_leapfrog

integer, parameter, public propagator_factory_oct_m::prop_leapfrog = 9

Definition at line 157 of file propagator_factory.F90.

prop_bomd

integer, parameter, public propagator_factory_oct_m::prop_bomd = 10

Definition at line 157 of file propagator_factory.F90.

prop_expgauss1

integer, parameter, public propagator_factory_oct_m::prop_expgauss1 = 11

Definition at line 157 of file propagator_factory.F90.

prop_expgauss2

integer, parameter, public propagator_factory_oct_m::prop_expgauss2 = 12

Definition at line 157 of file propagator_factory.F90.