Separation of Fourier transform utilities into separate file. More...

Functions/Subroutines
subroutine, public	multi_fft (time_series, value_series, result_series, omega_series, damping_opt, t0_opt, subtract_initial_opt)
	Calculates the Fourier transform - couples to FFT libraries in CP2K, if available.

subroutine, public	fft_shift (source)
	Switches the order in result of FT, so that negative frequencies go first.

subroutine, public	fft_freqs (n, t_total, omegas, fft_ordering_opt)
	Switches the order in result of FT, so that negative frequencies go first.

Detailed Description

Separation of Fourier transform utilities into separate file.

Function/Subroutine Documentation

subroutine, public rt_propagation_ft::multi_fft	(	real(kind=dp), dimension(:)	time_series,
		complex(kind=dp), dimension(:, :)	value_series,
		complex(kind=dp), dimension(:, :), allocatable	result_series,
		real(kind=dp), dimension(:), optional	omega_series,
		real(kind=dp), optional	damping_opt,
		real(kind=dp), optional	t0_opt,
		logical, optional	subtract_initial_opt
	)

Calculates the Fourier transform - couples to FFT libraries in CP2K, if available.

Parameters

time_series	Timestamps in atomic units of time
value_series	Values to be Fourier transformed - moments, field etc. Real only. Many series can be provided.
result_series	FT of the value series - complex numbers
omega_series	...
damping_opt	Supply custom exponential damping - default is 4.0/totalTime, i.e. ratio of last and first element in windowed value series is reduced by e^(-4)
t0_opt	Carry the FT only starting from certain time - allows for exclusion of trace before the pulse application etc.
subtract_initial_opt	Subtract the value at the start of the array

Definition at line 98 of file rt_propagation_ft.F.

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subroutine, public rt_propagation_ft::fft_shift ( complex(kind=dp), dimension(:) source )

Switches the order in result of FT, so that negative frequencies go first.

Parameters

source Array containing the FT - buffer is used to reorder it

Definition at line 223 of file rt_propagation_ft.F.

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subroutine, public rt_propagation_ft::fft_freqs	(	integer	n,
		real(kind=dp)	t_total,
		real(kind=dp), dimension(:)	omegas,
		logical, optional	fft_ordering_opt
	)

Switches the order in result of FT, so that negative frequencies go first.

Parameters

n	Number of frequencies
t_total	Total corresponding propagation time
omegas	Array of frequencies
fft_ordering_opt	Whether to switch to FFT ordering

Definition at line 269 of file rt_propagation_ft.F.

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