kineticenergyaction Module Reference

This module contains all routines that do the FFT collocation or which evaluate the action of the kinetic energy or the total angular momentum operator. More...

Public Member Functions
subroutine	get_kineticenergyaction_allorbitals_nlevel (temp, local_time)
	Wrapper routine that evaluates the action of the one-body operators (kinetic energy and angular momentum) for the chosen DVR. More...
subroutine	get_kineticenergyaction_allorbitals (temp, local_time)
	Wrapper routine that evaluates the action of the one-body operators (kinetic energy and angular momentum) for the chosen DVR. More...
subroutine	get_kineticenergyaction_mctdbh (psi, dimensionality)
	MCTDHB for BH kinetic energy application. More...
subroutine	get_kineticenergyaction (psi, Op, NDop, X_i)
	Conventional DVR Matrix-Vector multiplication to get the kinetic energy. More...
subroutine	get_kineticenergyaction_fft (psi, X_i)
	FFT collocation with the MKL routines for the 1D case in X/Y/Z direction. More...
subroutine	get_kineticenergyaction_fft_2d (psi)
	FFT collocation with the MKL or FFTW routines for the 2D case. Works only for X and Y. More...
subroutine	get_kineticenergyaction_fft_3d (psi)
	FFT collocation with the FFTW/MKL routines for the 3D case. More...
subroutine	get_kineticenergyaction_l_fft (psi)
	FFT collocation with the MKL routines for the 2D case of angular momentum in Z direction. More...
subroutine	apply_lz (Psi)
subroutine	apply_soc (Psi)
	Apply spin-orbit-coupling. More...

Detailed Description

This module contains all routines that do the FFT collocation or which evaluate the action of the kinetic energy or the total angular momentum operator.

Member Function/Subroutine Documentation

subroutine kineticenergyaction::apply_lz

(

complex*16, dimension(ndvr_x*ndvr_y*ndvr_z)

Psi

)

References fft_laboratory::get_fft().

Referenced by get_kineticenergyaction_l_fft().

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subroutine kineticenergyaction::apply_soc

(

complex*16, dimension(ndvr_x*ndvr_y*ndvr_z,nlevel)

Psi

)

Apply spin-orbit-coupling.

References auxiliary_routines::apply_spin(), and fft_laboratory::get_fft().

Referenced by get_kineticenergyaction_allorbitals_nlevel().

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subroutine kineticenergyaction::get_kineticenergyaction	(	complex*16, dimension(ndvr_x*ndvr_y*ndvr_z)	psi,
		real*8, dimension(ndop,ndop)	Op,
		integer	NDop,
		integer	X_i
	)

Conventional DVR Matrix-Vector multiplication to get the kinetic energy.

Referenced by get_kineticenergyaction_allorbitals(), get_kineticenergyaction_allorbitals_nlevel(), auxiliary_analysis_routines::get_kineticenergyaction_allorbitalsanalysis(), and localinteractionpotential::get_local_interactionpotentials().

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subroutine kineticenergyaction::get_kineticenergyaction_allorbitals	(	complex*16, dimension(ndvr_x*ndvr_y*ndvr_z,morb)	temp,
		real*8	local_time
	)

Wrapper routine that evaluates the action of the one-body operators (kinetic energy and angular momentum) for the chosen DVR.

References get_1bodypotential(), cavitybec::get_atom_pump_cavityexpectations(), cavitybec::get_cavityaction(), get_kineticenergyaction(), get_kineticenergyaction_fft(), get_kineticenergyaction_fft_2d(), get_kineticenergyaction_fft_3d(), get_kineticenergyaction_l_fft(), and get_kineticenergyaction_mctdbh().

Referenced by orbital_equationofmotion::func(), and master_slave_parallelization::slave_process_orbitals().

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subroutine kineticenergyaction::get_kineticenergyaction_allorbitals_nlevel	(	complex*16, dimension(ndvr_x*ndvr_y*ndvr_z,morb,nlevel)	temp,
		real*8	local_time
	)

Wrapper routine that evaluates the action of the one-body operators (kinetic energy and angular momentum) for the chosen DVR.

References apply_soc(), get_1bodypotential(), get_kineticenergyaction(), get_kineticenergyaction_fft(), get_kineticenergyaction_fft_2d(), get_kineticenergyaction_fft_3d(), and get_kineticenergyaction_l_fft().

Referenced by orbital_equationofmotion::func_nlevel(), and master_slave_parallelization::slave_process_nlevelorbitals().

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subroutine kineticenergyaction::get_kineticenergyaction_fft	(	complex*16, dimension(ndvr_x*ndvr_y*ndvr_z)	psi,
		integer	X_i
	)

FFT collocation with the MKL routines for the 1D case in X/Y/Z direction.

References fft_laboratory::get_fft().

Referenced by get_kineticenergyaction_allorbitals(), get_kineticenergyaction_allorbitals_nlevel(), and auxiliary_analysis_routines::get_kineticenergyaction_allorbitalsanalysis().

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subroutine kineticenergyaction::get_kineticenergyaction_fft_2d

(

complex*16, dimension(ndvr_x*ndvr_y*ndvr_z)

psi

)

FFT collocation with the MKL or FFTW routines for the 2D case. Works only for X and Y.

References fft_laboratory::get_fft().

Referenced by get_kineticenergyaction_allorbitals(), get_kineticenergyaction_allorbitals_nlevel(), and auxiliary_analysis_routines::get_kineticenergyaction_allorbitalsanalysis().

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subroutine kineticenergyaction::get_kineticenergyaction_fft_3d

(

complex*16, dimension(ndvr_x*ndvr_y*ndvr_z)

psi

)

FFT collocation with the FFTW/MKL routines for the 3D case.

References fft_laboratory::get_fft().

Referenced by get_kineticenergyaction_allorbitals(), get_kineticenergyaction_allorbitals_nlevel(), and auxiliary_analysis_routines::get_kineticenergyaction_allorbitalsanalysis().

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subroutine kineticenergyaction::get_kineticenergyaction_l_fft

(

complex*16, dimension(ndvr_x*ndvr_y*ndvr_z)

psi

)

FFT collocation with the MKL routines for the 2D case of angular momentum in Z direction.

References apply_lz().

Referenced by get_kineticenergyaction_allorbitals(), get_kineticenergyaction_allorbitals_nlevel(), and analysis_routines_2d::get_lz().

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subroutine kineticenergyaction::get_kineticenergyaction_mctdbh	(	complex*16, dimension(ndvr_x*ndvr_y*ndvr_z)	psi,
		integer	dimensionality
	)

MCTDHB for BH kinetic energy application.

Four corners without periodic boundary conditions

Upper and lower border without periodic boundary

Left and right borders without periodic boundary

Four corners with periodic boundary conditions

Upper and lower border with periodic boundary

Left and right borders with periodic boundary

Referenced by get_kineticenergyaction_allorbitals().

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

• Module_KineticEnergyAction.F