integration Module Reference

This module contains the Integration wrappers that call the appropriate chosen integration routine to integrate the orbital or the coefficients equations of motion. More...

Public Member Functions
subroutine	integrator_ci (Coeffs_Integrator, IntStep, VIN, VOUT, Error_SIL, ABSTIME, whichstep)
	This Routine uses various Numerical Integrators to propagate the Coefficients' equations of motion. More...
subroutine	integrator_block_ci (Coeffs_Integrator, IntStep, VIN, VOUT, Error_SIL, ABSTIME, whichstep)
subroutine	integrator_orb (PSI, OPSI, AuxPsi, AbsTime, xIntPeriod, NewRestart, ABMError)
	Orbital equations Integration routine. More...
subroutine	integrator_nlevelorb (PSI, OPSI, AuxPsi, AbsTime, xIntPeriod, NewRestart, ABMError)
	Orbital equations Integration routine. More...

Detailed Description

This module contains the Integration wrappers that call the appropriate chosen integration routine to integrate the orbital or the coefficients equations of motion.

Member Function/Subroutine Documentation

subroutine integration::integrator_block_ci	(	character*3	Coeffs_Integrator,
		real*8	IntStep,
		complex*16, dimension(nconf*blocksize)	VIN,
		complex*16, dimension(nconf*blocksize)	VOUT,
		real*8	Error_SIL,
		real*8	ABSTIME,
		integer	whichstep
	)

References dav_integrators::bdavstep(), and hamiltonianaction_coefficients::get_hamiltonianaction_ci_time().

Referenced by master_slave_parallelization::master_mctdhbf().

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subroutine integration::integrator_ci	(	character*3	Coeffs_Integrator,
		real*8	IntStep,
		complex*16, dimension(nconf)	VIN,
		complex*16, dimension(nconf)	VOUT,
		real*8	Error_SIL,
		real*8	ABSTIME,
		integer	whichstep
	)

This Routine uses various Numerical Integrators to propagate the Coefficients' equations of motion.

INPUT PARAMETERS

Coeffs_Integrator::  Character*3 specifies the chosen integrator 
IntStep  ::  Real*8 specifies the time-step to integrate
VIN      ::  Complex*16(Nconf) Initial CI-Vector
VOUT     ::  Complex*16(Nconf) Will be overwritten
CIntOrder::  Integer Integration Order
ABSTIME  ::  Real*8 Absolute time
whichstep::  Integer number of the Integration Step in the 
             MCTDHB integration scheme. 
             If whichstep=6, the SIL Routine also does the back
             propagation of the CI-Vector for error evaluation.  

OUTPUT PARAMETERS

VIN      ::  Propagated CI-Vector.   
VOUT     ::  If whichstep=6, VOUT contains Back-propagated
             CI-Vector for error evaluation.

References dav_integrators::davstep(), hamiltonianaction_coefficients::get_hamiltonianaction_ci_time(), sil_integrators::sildiag(), and sil_integrators::silstep().

Referenced by master_slave_parallelization::master_fci(), and master_slave_parallelization::master_mctdhbf().

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subroutine integration::integrator_nlevelorb	(	complex*16, dimension(ndvr_x*ndvr_y*ndvr_z,morb,nlevel)	PSI,
		complex*16, dimension(ndvr_x*ndvr_y*ndvr_z,morb,nlevel)	OPSI,
		complex*16, dimension(ndvr_x*ndvr_y*ndvr_z*morb*nlevel,18)	AuxPsi,
		real*8	AbsTime,
		real*8	xIntPeriod,
		logical	NewRestart,
		real*8	ABMError
	)

Orbital equations Integration routine.

References abm_integrators::abm(), abm_integrators::absabmerror(), bulirsch_stoer::absbserror(), bulirsch_stoer::bsstep(), orbital_equationofmotion::func_nlevel_wrapper(), array_interfaces::get_1dfrom3d_array(), array_interfaces::get_3dfrom1d_array(), abm_integrators::ompabm(), bulirsch_stoer::polyextrapol(), runge_kutta::rungekutta5(), runge_kutta::rungekutta8(), and stiff_integrator::zvode_wrapper().

Referenced by master_slave_parallelization::master_mctdhbf().

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subroutine integration::integrator_orb	(	complex*16, dimension(ndvr_x*ndvr_y*ndvr_z,morb)	PSI,
		complex*16, dimension(ndvr_x*ndvr_y*ndvr_z,morb)	OPSI,
		complex*16, dimension(ndvr_x*ndvr_y*ndvr_z*morb,18)	AuxPsi,
		real*8	AbsTime,
		real*8	xIntPeriod,
		logical	NewRestart,
		real*8	ABMError
	)

Orbital equations Integration routine.

References abm_integrators::abm(), abm_integrators::absabmerror(), bulirsch_stoer::absbserror(), bulirsch_stoer::bsstep(), orbital_equationofmotion::func(), abm_integrators::ompabm(), bulirsch_stoer::polyextrapol(), runge_kutta::rungekutta5(), runge_kutta::rungekutta8(), and stiff_integrator::zvode_wrapper().

Referenced by master_slave_parallelization::master_mctdhbf().

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The documentation for this module was generated from the following file:

• Module_Integration.f90