moduleextensions Module Reference

This module contains computational extensions, e.g. time-dependent extenal potentials, time-dependent interaction strengths, etc. More...

Functions/Subroutines
subroutine	get_V_ext (V_ext, NDX, NDY, NDZ, Dims, gridx, gridy, gridz, AbsTime)
	This subroutine is used if the potential is not read in (readPotential = F in the input.nml file). the external potential defined here can be time-dependent. put whatever you feel like.
REAL *8	Wint_IMEST (x, y, z)
	This function should be used if the interaction potential depends only on the distance between two particles and is not a delta funciton. In this case the IMEST algorithm [K. Sakmann, PhD thesis, (2010)] can be used to evaluate all matrix elements Wsl efficiently. It is only used once to compute vtilde.

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Detailed Description

This module contains computational extensions, e.g. time-dependent extenal potentials, time-dependent interaction strengths, etc.

Authors:

Kaspar Sakmann (2007)

Since:

2007

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Function/Subroutine Documentation

subroutine moduleextensions::get_V_ext	(	REAL*8,dimension(ndx*ndy*ndz),intent(out)	V_ext,
		INTEGER,intent(in)	NDX,
		INTEGER,intent(in)	NDY,
		INTEGER,intent(in)	NDZ,
		INTEGER,intent(in)	Dims,
		REAL*8,dimension(ndx),intent(in)	gridx,
		REAL*8,dimension(ndy),intent(in)	gridy,
		REAL*8,dimension(ndz),intent(in)	gridz,
		REAL*8,intent(in)	AbsTime
	)

This subroutine is used if the potential is not read in (readPotential = F in the input.nml file). the external potential defined here can be time-dependent. put whatever you feel like.

Authors:

Kaspar Sakmann (2007)

Since:

2007

Definition at line 23 of file moduleextensions.F90.

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REAL*8 moduleextensions::Wint_IMEST	(	REAL*8,intent(in)	x,
		REAL*8,intent(in)	y,
		REAL*8,intent(in)	z
	)

This function should be used if the interaction potential depends only on the distance between two particles and is not a delta funciton. In this case the IMEST algorithm [K. Sakmann, PhD thesis, (2010)] can be used to evaluate all matrix elements Wsl efficiently. It is only used once to compute vtilde.

Set useIMEST = T in input.nml to use this potential

Currently a unnormalized gaussian interaction is implemented here that converges towards the delta function result if the width of the gaussian tends to zero. Make sure you use an even number of grid points, because only then there will be a grid point at zero in the computation of vtilde. If available, it is better to provide vtilde analytically. Otherwise you will need a very dense grid. So be careful what you put here as an interaction. The grid has to be dense enough to resolve the interaction potential.

Authors:

Kaspar Sakmann (2007)

Since:

2007

Todo:

This is not fully implemented yet, input file option, pass lambda0

Definition at line 83 of file moduleextensions.F90.

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