This module collects the routines needed for the evaluation of the local interaction potentials W_{sl}(r,r') in the right-hand-sides of the orbital equations of motion. More...

Public Member Functions
subroutine	get_interactionoperatoraction (PSI, OPSI, FromN, TillN, WSLTime)
	Routine to evaluate OpenMP-MPI-hybridly the matrix elements of all the two-body operators W and the action of the interaction on the orbitals. More...

subroutine	apply_interactionoperator (FromN, TillN, PSI, OPSI, ALL_WSL)
	Routine to evaluate OpenMP-MPI-hybridly the action of the interaction on the orbitals. More...

subroutine	compute_interactionelements (FromN, TillN, PSI, ALL_WSL, Interaction_Elements)
	Routine to evaluate OpenMP-MPI-hybridly the matrix elements of all the two-body operators W. More...

subroutine	compute_multilevelinteractionelements (FromN, TillN, PSI, ALL_WSL, Interaction_Elements, spindependent, Direction, Psi_Spin)

subroutine	apply_multilevelinteractionoperator (FromN, TillN, PSI, OPSI, ALL_WSL, spindependent, Direction, Psi_Spin)
	Routine to evaluate OpenMP-MPI-hybridly the action of the interaction on the orbitals. More...

subroutine	get_multilevelinteractionoperatoraction (PSI, OPSI, FromN, TillN, WSLTime)
	Routine to evaluate OpenMP-MPI-hybridly the matrix elements of all the two-body operators W_sl for the multilevel case for a certain level. More...

subroutine	get_local_multilevelinteractionpotentials (WSL, psiS, psiL, WSLTime, spindependent)
	Wrapper routine to obtain W_{sl}. Calls subroutines according to the chosen form of the interparticle potential. More...

subroutine	get_local_interactionpotentials (WSL, psiS, psiL, WSLTime)
	Wrapper routine to obtain W_{sl}. Calls subroutines according to the chosen form of the interparticle potential. More...

subroutine	compute_localinteraction_fft (vtilde, wtilde)
	Routine to compute the fourier transform of the interaction potential needed for the IMEST evaluation of the matrix elements of the interaction. More...

subroutine	compute_localinteraction_imest (wsl, psi_s, psi_l, vtilde)
	Computes the W_{sl}(r',r) using the IMEST algorithm. Employs the Fourier transform of the interaction potential computed by Compute_LocalInteraction_FFT. More...

Detailed Description

This module collects the routines needed for the evaluation of the local interaction potentials W_{sl}(r,r') in the right-hand-sides of the orbital equations of motion.

Member Function/Subroutine Documentation

subroutine localinteractionpotential::apply_interactionoperator	(	integer	FromN,
		integer	TillN,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb)	PSI,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb)	OPSI,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,tilln-fromn+1)	ALL_WSL
	)

Routine to evaluate OpenMP-MPI-hybridly the action of the interaction on the orbitals.

References auxiliary_routines::get_ijk_from_m(), and addresses::rhoall().

Referenced by get_interactionoperatoraction().

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subroutine localinteractionpotential::apply_multilevelinteractionoperator	(	integer	FromN,
		integer	TillN,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb,nlevel)	PSI,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb,nlevel)	OPSI,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,tilln-fromn+1,nlevel)	ALL_WSL,
		logical, intent(in), optional	spindependent,
		integer, intent(in), optional	Direction,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb,nlevel), optional	Psi_Spin
	)

Routine to evaluate OpenMP-MPI-hybridly the action of the interaction on the orbitals.

References addresses::rhoall().

Referenced by get_multilevelinteractionoperatoraction().

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subroutine localinteractionpotential::compute_interactionelements	(	integer	FromN,
		integer	TillN,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb)	PSI,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,tilln-fromn+1)	ALL_WSL,
		complex*16, dimension(rdim1)	Interaction_Elements
	)

Routine to evaluate OpenMP-MPI-hybridly the matrix elements of all the two-body operators W.

References auxiliary_routines::get_ijk_from_m(), addresses::nadr(), and addresses::symmexp().

Referenced by get_interactionoperatoraction().

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subroutine localinteractionpotential::compute_localinteraction_fft	(	double complex, dimension(ndvr_xndvr_yndvr_z)	vtilde,
		double complex, dimension(ndvr_xndvr_yndvr_z)	wtilde
	)

Routine to compute the fourier transform of the interaction potential needed for the IMEST evaluation of the matrix elements of the interaction.

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

Referenced by get_interparticle_potential().

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subroutine localinteractionpotential::compute_localinteraction_imest	(	double complex, dimension(ndvr_xndvr_yndvr_z)	wsl,
		double complex, dimension(ndvr_xndvr_yndvr_z)	psi_s,
		double complex, dimension(ndvr_xndvr_yndvr_z)	psi_l,
		double complex, dimension(ndvr_xndvr_yndvr_z)	vtilde
	)

Computes the W_{sl}(r',r) using the IMEST algorithm. Employs the Fourier transform of the interaction potential computed by Compute_LocalInteraction_FFT.

References fft_laboratory::get_fft().

Referenced by get_local_interactionpotentials(), and get_local_multilevelinteractionpotentials().

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subroutine localinteractionpotential::compute_multilevelinteractionelements	(	integer	FromN,
		integer	TillN,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb,nlevel)	PSI,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,tilln-fromn+1,nlevel)	ALL_WSL,
		complex*16, dimension(rdim1)	Interaction_Elements,
		logical, intent(in), optional	spindependent,
		integer, intent(in), optional	Direction,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb,nlevel), optional	Psi_Spin
	)

References addresses::nadr().

Referenced by get_multilevelinteractionoperatoraction().

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subroutine localinteractionpotential::get_interactionoperatoraction	(	complex16, dimension(ndvr_xndvr_y*ndvr_z,morb)	PSI,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb)	OPSI,
		integer	FromN,
		integer	TillN,
		real*8	WSLTime
	)

Routine to evaluate OpenMP-MPI-hybridly the matrix elements of all the two-body operators W and the action of the interaction on the orbitals.

References apply_interactionoperator(), compute_interactionelements(), and get_local_interactionpotentials().

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

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subroutine localinteractionpotential::get_local_interactionpotentials	(	complex16, dimension(ndvr_xndvr_y*ndvr_z)	WSL,
		complex16, dimension(ndvr_xndvr_y*ndvr_z)	psiS,
		complex16, dimension(ndvr_xndvr_y*ndvr_z)	psiL,
		real*8	WSLTime
	)

Wrapper routine to obtain W_{sl}. Calls subroutines according to the chosen form of the interparticle potential.

References compute_localinteraction_imest(), get_interparticle_potential(), and kineticenergyaction::get_kineticenergyaction().

Referenced by get_interactionoperatoraction(), and analysis_routines_manybody::write_hamiltonianelementsanalysis().

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subroutine localinteractionpotential::get_local_multilevelinteractionpotentials	(	complex16, dimension(ndvr_xndvr_y*ndvr_z,nlevel)	WSL,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,nlevel)	psiS,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,nlevel)	psiL,
		real*8	WSLTime,
		logical, intent(in), optional	spindependent
	)

Wrapper routine to obtain W_{sl}. Calls subroutines according to the chosen form of the interparticle potential.

References compute_localinteraction_imest(), and get_interparticle_potential().

Referenced by get_multilevelinteractionoperatoraction().

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subroutine localinteractionpotential::get_multilevelinteractionoperatoraction	(	complex16, dimension(ndvr_xndvr_y*ndvr_z,morb,nlevel)	PSI,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb,nlevel)	OPSI,
		integer	FromN,
		integer	TillN,
		real*8	WSLTime
	)

Routine to evaluate OpenMP-MPI-hybridly the matrix elements of all the two-body operators W_sl for the multilevel case for a certain level.

References apply_multilevelinteractionoperator(), auxiliary_routines::apply_spin(), compute_multilevelinteractionelements(), and get_local_multilevelinteractionpotentials().

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

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

Module_LocalInteractionPotential.F

Public Member Functions

Detailed Description

Member Function/Subroutine Documentation