auxiliary_fftroutines Module Reference

This module contains all routines using FFT to calculate colocations, k-space representations, derivatives or gradients. More...

Public Member Functions
subroutine	get_sorted_fft (PSI, FTPSI, Dilation)
subroutine	sort_fft_to_ascending_2d (FFT, NDVR_X, NDVR_Y)
subroutine	get_derivative_2d (Field, Derivative, Direction)
	This subroutine calculates the derivative of a real field in x/y direction if the Direction=1/2. More...
subroutine	get_gradient_2d (Field, Gradient_X, Gradient_Y)
subroutine	get_curl_2d (Field_X, Field_Y, Curl)
subroutine	twod_zero_padding (PSI, FTPSI, dilation)

Detailed Description

This module contains all routines using FFT to calculate colocations, k-space representations, derivatives or gradients.

Member Function/Subroutine Documentation

subroutine auxiliary_fftroutines::get_curl_2d	(	real*8, dimension(ndvr_x*ndvr_y*ndvr_z)	Field_X,
		real*8, dimension(ndvr_x*ndvr_y*ndvr_z)	Field_Y,
		real*8, dimension(ndvr_x*ndvr_y*ndvr_z)	Curl
	)

Parameters

curl\xrefitem

todo 4.

References get_derivative_2d().

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subroutine auxiliary_fftroutines::get_derivative_2d	(	real*8, dimension(ndvr_x*ndvr_y*ndvr_z)	Field,
		real*8, dimension(ndvr_x*ndvr_y*ndvr_z)	Derivative,
		integer	Direction
	)

This subroutine calculates the derivative of a real field in x/y direction if the Direction=1/2.

Uncomment the loops in the routine in order to write the field to fort.400, its FFT to fort.401, and its derivative to fort.402

References fft_laboratory::get_fft(), auxiliary_routines::get_ijk_from_m(), and auxiliary_routines::get_mom().

Referenced by get_curl_2d(), get_gradient_2d(), and analysis_routines_onebody::get_phase().

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subroutine auxiliary_fftroutines::get_gradient_2d	(	real*8, dimension(ndvr_x*ndvr_y*ndvr_z)	Field,
		real*8, dimension(ndvr_x*ndvr_y*ndvr_z)	Gradient_X,
		real*8, dimension(ndvr_x*ndvr_y*ndvr_z)	Gradient_Y
	)

Parameters

field\xrefitem

todo 2.

References get_derivative_2d().

Referenced by analysis_routines_onebody::get_phase().

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subroutine auxiliary_fftroutines::get_sorted_fft	(	complex*16, dimension(ndvr_x*ndvr_y*ndvr_z,morb), intent(in)	PSI,
		complex*16, dimension(ndvr_x*ndvr_y*ndvr_z,morb), intent(out)	FTPSI,
		integer, optional	Dilation
	)

References fft_laboratory::get_dilated_fft(), fft_laboratory::get_fft(), function_library::normvxz(), sort_fft_to_ascending_2d(), twod_zero_padding(), and function_library::xvixdzo().

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

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subroutine auxiliary_fftroutines::sort_fft_to_ascending_2d	(	complex*16, dimension(ndvr_x*ndvr_y)	FFT,
		integer	NDVR_X,
		integer	NDVR_Y
	)

Parameters

ndvr_x	sort an array representing a 2D function given in FFT order, compact storage to be in strictly ascending order (needed for gnuplots pm3d), compact storage
ndvr_y	sort an array representing a 2D function given in FFT order, compact storage to be in strictly ascending order (needed for gnuplots pm3d), compact storage

Referenced by get_sorted_fft(), analysis_routines_twobody::get_structurefactor(), and twod_zero_padding().

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subroutine auxiliary_fftroutines::twod_zero_padding	(	complex*16, dimension(ndvr_x*ndvr_y,morb), intent(in)	PSI,
		complex*16, dimension(ndvr_x*ndvr_y,morb), intent(out)	FTPSI,
		integer, intent(in)	dilation
	)

Parameters

[in]

dilation

This routine calculates the 2D FT of an array of M Orbitals, increasing the resolution of the FT by adding zeroes to the end of the grid in realspace.

References fft_laboratory::get_dilated_fft(), function_library::normvxz(), sort_fft_to_ascending_2d(), and function_library::xvixdzo().

Referenced by analysis_routines_onebody::get_2d_1bodydiag_dilated(), analysis_routines_onebody::get_2d_1bodydiag_dilated_nlevel(), and get_sorted_fft().

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

• Module_Auxiliary_FFTRoutines.f90