MCTDH-X  v2.22
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bulirsch_stoer Module Reference

This module contains the Bulirsch-Stoer Integrator routines. More...

Public Member Functions

subroutine bsstep (Psi, DtPsi, PsiDim, IntPeriod, AbsTime, IntOrder, LargeStep, TolError, ActualLargeStep, NextLargeStep, SmallSteps, ErrorCode, AuxPsi, Func, CalcError, Extrapol)
 Driver routine for the BS integrator. More...
 
subroutine modmidpoint (SavedPsi, EstimatedPsi, DtPsi, Psi1, Psi2, PsiDim, LargeStepSize, InitialTime, NumberOfSteps, Func)
 BS modified middle point evaluation. More...
 
subroutine absbserror (PsiError, PsiDim, Error)
 Absolute BS error evaluation. More...
 
subroutine relbserror (Psi, PsiError, PsiDim, Error)
 Relative BS error evaluation. More...
 
subroutine polyextrapol (Column, Psi, DeltaPsi, Difference, Tableau, PsiDim, SquaredStepSize, IntOrder)
 Polynomial extrapolation for the first step. More...
 
subroutine bserrormsg (Error, Msg)
 BS error message output. More...
 

Detailed Description

This module contains the Bulirsch-Stoer Integrator routines.

Member Function/Subroutine Documentation

subroutine bulirsch_stoer::absbserror ( complex*16, dimension(psidim)  PsiError,
integer  PsiDim,
real*8  Error 
)

Absolute BS error evaluation.

Referenced by integration::integrator_nlevelorb(), and integration::integrator_orb().

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subroutine bulirsch_stoer::bserrormsg ( integer  Error,
character*(*)  Msg 
)

BS error message output.

subroutine bulirsch_stoer::bsstep ( complex*16, dimension(psidim)  Psi,
complex*16, dimension(psidim)  DtPsi,
integer  PsiDim,
real*8  IntPeriod,
real*8  AbsTime,
integer  IntOrder,
real*8  LargeStep,
real*8  TolError,
real*8  ActualLargeStep,
real*8  NextLargeStep,
integer  SmallSteps,
integer  ErrorCode,
complex*16, dimension(psidim,intorder+2)  AuxPsi,
external  Func,
external  CalcError,
external  Extrapol 
)

Driver routine for the BS integrator.

References orbital_equationofmotion::func(), and modmidpoint().

Referenced by integration::integrator_nlevelorb(), and integration::integrator_orb().

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subroutine bulirsch_stoer::modmidpoint ( complex*16, dimension(psidim)  SavedPsi,
complex*16, dimension(psidim)  EstimatedPsi,
complex*16, dimension(psidim)  DtPsi,
complex*16, dimension(psidim)  Psi1,
complex*16, dimension(psidim)  Psi2,
integer  PsiDim,
real*8  LargeStepSize,
real*8  InitialTime,
integer  NumberOfSteps,
external  Func 
)

BS modified middle point evaluation.

References orbital_equationofmotion::func().

Referenced by bsstep().

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subroutine bulirsch_stoer::polyextrapol ( integer  Column,
complex*16, dimension(psidim)  Psi,
complex*16, dimension(psidim)  DeltaPsi,
complex*16, dimension(psidim)  Difference,
complex*16, dimension(psidim,intorder-1)  Tableau,
integer  PsiDim,
real*8  SquaredStepSize,
integer  IntOrder 
)

Polynomial extrapolation for the first step.

Referenced by integration::integrator_nlevelorb(), and integration::integrator_orb().

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subroutine bulirsch_stoer::relbserror ( complex*16, dimension(psidim)  Psi,
complex*16, dimension(psidim)  PsiError,
integer  PsiDim,
real*8  Error 
)

Relative BS error evaluation.


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