This module contains the different Runge Kutta wrappers. More...

Public Member Functions
subroutine	rungekutta5 (psi, dtpsi, psidim, intperiod, abstime, initstep, accuracy, error, auxpsi, func, rksteps)
	MCTDH interface to the call of the Runge-Kutta (order 5) integrator from the ODESIM project. More...

subroutine	rungekutta8 (psi, dtpsi, psidim, intperiod, abstime, initstep, accuracy, error, auxpsi, func, rksteps)
	MCTDH interface to the call of the Runge-Kutta (order 8) integrator from the ODESIM project. More...

subroutine	od85cr (ODEMOD, ndgl, y, t, tend, hmax, h, hopt, tol, uround, safe, beta, facdec, facinc, y1, k1, k2, k3, k4, k5, k6, k7, k8, k9, k10, kerr, kerr2, wt, nfcn, nstep, naccpt, nrejct, intgfl, ierr, rerr)
	Core of the Runge-Kutta integrator DoPri853. More...

subroutine	odp5cr (ODEMOD, ndgl, y, t, tend, hmax, h, hopt, tol, uround, safe, beta, facdec, facinc, y1, k1, k2, k3, k4, k5, k6, ys, wt, nfcn, nstep, naccpt, nrejct, intgfl, ierr, rerr)
	Core of the Runge-Kutta integrator of order 5. More...

subroutine	odehin (ODEMOD, ndgl, t, y, tend, posneg, dy0, dy1, y1, iord, hmax, small, wt, tol, nfcn, hini)
	computes an initial stepsize guess for Runge Kutta integration More...

subroutine	setewv (ndim, y0, y1, tol, small, wt)
	set the error weight vector according to the given tolerance More...

real *8 function	wgtnrm (ndim, vec, wt)
	computes the weighted norm of a vector More...

real *8 function	wgtdst (ndim, vec1, vec2, wt)
	computes the weighted distance of two vectors More...

Detailed Description

This module contains the different Runge Kutta wrappers.

Member Function/Subroutine Documentation

subroutine runge_kutta::od85cr	(	external	ODEMOD,
		integer	ndgl,
		complex*16, dimension(ndgl)	y,
		real*8	t,
		real*8	tend,
		real*8	hmax,
		real*8	h,
		real*8	hopt,
		real*8	tol,
		real*8	uround,
		real*8	safe,
		real*8	beta,
		real*8	facdec,
		real*8	facinc,
		complex*16, dimension(ndgl)	y1,
		complex*16, dimension(ndgl)	k1,
		complex*16, dimension(ndgl)	k2,
		complex*16, dimension(ndgl)	k3,
		complex*16, dimension(ndgl)	k4,
		complex*16, dimension(ndgl)	k5,
		complex*16, dimension(ndgl)	k6,
		complex*16, dimension(ndgl)	k7,
		complex*16, dimension(ndgl)	k8,
		complex*16, dimension(ndgl)	k9,
		complex*16, dimension(ndgl)	k10,
		complex*16, dimension(ndgl)	kerr,
		complex*16, dimension(ndgl)	kerr2,
		real*8, dimension(ndgl)	wt,
		integer	nfcn,
		integer	nstep,
		integer	naccpt,
		integer	nrejct,
		integer	intgfl,
		integer	ierr,
		real*8	rerr
	)

Core of the Runge-Kutta integrator DoPri853.

References function_library::beta(), odehin(), setewv(), and wgtnrm().

Referenced by rungekutta8().

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subroutine runge_kutta::odehin	(	external	ODEMOD,
		integer	ndgl,
		real*8	t,
		complex*16, dimension(ndgl)	y,
		real*8	tend,
		real*8	posneg,
		complex*16, dimension(ndgl)	dy0,
		complex*16, dimension(ndgl)	dy1,
		complex*16, dimension(ndgl)	y1,
		integer	iord,
		real*8	hmax,
		real*8	small,
		real*8, dimension(ndgl)	wt,
		real*8	tol,
		integer	nfcn,
		real*8	hini
	)

computes an initial stepsize guess for Runge Kutta integration

References setewv(), wgtdst(), and wgtnrm().

Referenced by od85cr(), and odp5cr().

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subroutine runge_kutta::odp5cr	(	external	ODEMOD,
		integer	ndgl,
		complex*16, dimension(ndgl)	y,
		real*8	t,
		real*8	tend,
		real*8	hmax,
		real*8	h,
		real*8	hopt,
		real*8	tol,
		real*8	uround,
		real*8	safe,
		real*8	beta,
		real*8	facdec,
		real*8	facinc,
		complex*16, dimension(ndgl)	y1,
		complex*16, dimension(ndgl)	k1,
		complex*16, dimension(ndgl)	k2,
		complex*16, dimension(ndgl)	k3,
		complex*16, dimension(ndgl)	k4,
		complex*16, dimension(ndgl)	k5,
		complex*16, dimension(ndgl)	k6,
		complex*16, dimension(ndgl)	ys,
		real*8, dimension(ndgl)	wt,
		integer	nfcn,
		integer	nstep,
		integer	naccpt,
		integer	nrejct,
		integer	intgfl,
		integer	ierr,
		real*8	rerr
	)

Core of the Runge-Kutta integrator of order 5.

References function_library::beta(), odehin(), setewv(), and wgtnrm().

Referenced by rungekutta5().

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subroutine runge_kutta::rungekutta5	(	complex*16, dimension(psidim)	psi,
		complex*16, dimension(psidim)	dtpsi,
		integer	psidim,
		real*8	intperiod,
		real*8	abstime,
		real*8	initstep,
		real*8	accuracy,
		integer	error,
		complex16, dimension(psidim7)	auxpsi,
		external	func,
		integer	rksteps
	)

MCTDH interface to the call of the Runge-Kutta (order 5) integrator from the ODESIM project.

References function_library::beta(), orbital_equationofmotion::func(), and odp5cr().

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

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subroutine runge_kutta::rungekutta8	(	complex*16, dimension(psidim)	psi,
		complex*16, dimension(psidim)	dtpsi,
		integer	psidim,
		real*8	intperiod,
		real*8	abstime,
		real*8	initstep,
		real*8	accuracy,
		integer	error,
		complex16, dimension(psidim12)	auxpsi,
		external	func,
		integer	rksteps
	)

MCTDH interface to the call of the Runge-Kutta (order 8) integrator from the ODESIM project.

References function_library::beta(), orbital_equationofmotion::func(), and od85cr().

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

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subroutine runge_kutta::setewv	(	integer	ndim,
		complex*16, dimension(ndim)	y0,
		complex*16, dimension(ndim)	y1,
		real*8	tol,
		real*8	small,
		real*8, dimension(ndim)	wt
	)

set the error weight vector according to the given tolerance

Referenced by od85cr(), odehin(), and odp5cr().

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real*8 function runge_kutta::wgtdst	(	integer	ndim,
		complex*16, dimension(ndim)	vec1,
		complex*16, dimension(ndim)	vec2,
		real*8, dimension(ndim)	wt
	)

computes the weighted distance of two vectors

Referenced by odehin().

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real*8 function runge_kutta::wgtnrm	(	integer	ndim,
		complex*16, dimension(ndim)	vec,
		real*8, dimension(ndim)	wt
	)

computes the weighted norm of a vector

Referenced by od85cr(), odehin(), and odp5cr().

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

Module_RungeKutta.F

Public Member Functions

Detailed Description

Member Function/Subroutine Documentation