This module collects the routines for the analysis of two-body quantities in R-MCTDHB simulations. More...

Public Member Functions
subroutine	get_correlationsskewdiagonal1d (time, PSI, mode, rho_jk, rho_ijkl, dilation)
	This routine computes the skew diagonal of 1D correlation functions G1(x,x'=-x), and G2(x,x'=-x), and writes them to a file. The first four columns contain x,x'. More...

subroutine	get_2bentropy (FT_PSI, PSI, rho_ijkl, TIME)
	Compute the entropy of the two-body density diagonal in real and in momentum space. Compute the entropy of the geminal occupations. More...

subroutine	diag_geminal (Time, NatGemOcc, PSI, jobtype, InEntropy)
	Natural geminals' analysis: Diagonalize reduced two-body density matrix elements and return eigenvalues (Natural Geminal Occupations). More...

subroutine	lossops_two_bosons (time, PSI, rho_ijkl, border)
	This routine computes the expectation values for N=2 particle loss operators when partitioning the two particle Hilbert space at 'border'. More...

subroutine	get_corr_one_restricted (time, PSI, mode, rho_jk, xini, xfin, xpts, kxini, kxfin, kpts)
	This routine computes the correlation functions on a restricted subspace from x(k)ini to x(k)fin with x(k)pts points. More...

subroutine	get_corr_two_restricted (time, PSI, mode, rho_jk, rho_ijkl, xini, xfin, xpts, kxini, kxfin, kpts)
	This routine computes the correlation functions G2(r,r',r',r), where r=(x/k) in a restricted subspace from x(k)ini to x(k)fin with x(k)pts. More...

subroutine	get_structurefactor (time, PSI, rho_jk, rho_ijkl, xref, yref, zref)

subroutine	get_correlations (time, PSI, mode, rho_jk, rho_ijkl, Dilation, CorrCoef)
	This routine computes the correlation functions G1(r,r), G1(r,r'), G1(r',r') and G2(r,r',r',r), where r=(x,y,z), and writes them to a file. The first six columns contain x,y,z,x',y',z'. More...

subroutine	get_correlations_nlevel (time, PSI, mode, rho_jk, rho_ijkl, dilation)
	This routine computes the correlation functions G1(r,r), G1(r,r'), G1(r',r') and G2(r,r',r',r), where r=(x,y,z), and writes them to a file. The first six columns contain x,y,z,x',y',z'. More...

Detailed Description

This module collects the routines for the analysis of two-body quantities in R-MCTDHB simulations.

Member Function/Subroutine Documentation

subroutine analysis_routines_twobody::diag_geminal	(	real*8	Time,
		real8, dimension(morb(morb+1)/2)	NatGemOcc,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb)	PSI,
		integer	jobtype,
		logical, optional	InEntropy
	)

Natural geminals' analysis: Diagonalize reduced two-body density matrix elements and return eigenvalues (Natural Geminal Occupations).

References auxiliary_analysis_routines::assemble_outputfilename(), and auxiliary_analysis_routines::get_full_rijkl().

Referenced by analysis_core::apply_analysis(), and get_2bentropy().

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine analysis_routines_twobody::get_2bentropy	(	complex16, dimension(ndvr_xndvr_y*ndvr_z,morb)	FT_PSI,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb)	PSI,
		complex*16, dimension(morb,morb,morb,morb)	rho_ijkl,
		real*8	TIME
	)

Compute the entropy of the two-body density diagonal in real and in momentum space. Compute the entropy of the geminal occupations.

Many-Body entropy related to the natural geminal occupations.

Write different entropies to a file.

References diag_geminal(), auxiliary_routines::get_ijk_from_m(), and auxiliary_analysis_routines::get_weightormomentumgrid().

Referenced by analysis_core::apply_analysis().

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine analysis_routines_twobody::get_corr_one_restricted	(	real*8, intent(in)	time,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb)	PSI,
		integer, intent(in)	mode,
		complex*16, dimension(morb,morb), intent(in)	rho_jk,
		real*8	xini,
		real*8	xfin,
		integer, intent(in)	xpts,
		real*8	kxini,
		real*8	kxfin,
		integer, intent(in)	kpts
	)

This routine computes the correlation functions on a restricted subspace from x(k)ini to x(k)fin with x(k)pts points.

References auxiliary_analysis_routines::assemble_outputfilename(), auxiliary_routines::get_ijk_from_m(), and auxiliary_routines::get_mom().

Referenced by analysis_core::apply_analysis().

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine analysis_routines_twobody::get_corr_two_restricted	(	real*8, intent(in)	time,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb)	PSI,
		integer, intent(in)	mode,
		complex*16, dimension(morb,morb), intent(in)	rho_jk,
		complex*16, dimension(morb,morb,morb,morb), intent(in)	rho_ijkl,
		real*8	xini,
		real*8	xfin,
		integer, intent(in)	xpts,
		real*8	kxini,
		real*8	kxfin,
		integer, intent(in)	kpts
	)

This routine computes the correlation functions G2(r,r',r',r), where r=(x/k) in a restricted subspace from x(k)ini to x(k)fin with x(k)pts.

References auxiliary_analysis_routines::assemble_outputfilename(), auxiliary_routines::get_ijk_from_m(), and auxiliary_routines::get_mom().

Referenced by analysis_core::apply_analysis().

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine analysis_routines_twobody::get_correlations	(	real*8, intent(in)	time,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb)	PSI,
		integer, intent(in)	mode,
		complex*16, dimension(morb,morb), intent(in)	rho_jk,
		complex*16, dimension(morb,morb,morb,morb), intent(in)	rho_ijkl,
		integer, intent(in)	Dilation,
		logical, optional	CorrCoef
	)

This routine computes the correlation functions G1(r,r), G1(r,r'), G1(r',r') and G2(r,r',r',r), where r=(x,y,z), and writes them to a file. The first six columns contain x,y,z,x',y',z'.

References auxiliary_analysis_routines::assemble_outputfilename(), auxiliary_routines::get_ijk_from_m(), and auxiliary_analysis_routines::get_weightormomentumgrid().

Referenced by analysis_core::apply_analysis().

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine analysis_routines_twobody::get_correlations_nlevel	(	real*8, intent(in)	time,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb,nlevel)	PSI,
		integer, intent(in)	mode,
		complex*16, dimension(morb,morb), intent(in)	rho_jk,
		complex*16, dimension(morb,morb,morb,morb), intent(in)	rho_ijkl,
		integer	dilation
	)

This routine computes the correlation functions G1(r,r), G1(r,r'), G1(r',r') and G2(r,r',r',r), where r=(x,y,z), and writes them to a file. The first six columns contain x,y,z,x',y',z'.

References auxiliary_analysis_routines::assemble_outputfilename(), auxiliary_routines::get_ijk_from_m(), and auxiliary_analysis_routines::get_weightormomentumgrid().

Referenced by analysis_core::apply_analysis().

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine analysis_routines_twobody::get_correlationsskewdiagonal1d	(	real*8, intent(in)	time,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb)	PSI,
		integer, intent(in)	mode,
		complex*16, dimension(morb,morb), intent(in)	rho_jk,
		complex*16, dimension(morb,morb,morb,morb), intent(in)	rho_ijkl,
		integer, intent(in)	dilation
	)

This routine computes the skew diagonal of 1D correlation functions G1(x,x'=-x), and G2(x,x'=-x), and writes them to a file. The first four columns contain x,x'.

References auxiliary_analysis_routines::assemble_outputfilename(), auxiliary_routines::get_ijk_from_m(), auxiliary_analysis_routines::get_weightormomentumgrid(), and auxiliary_routines::getdoubleasstring().

Referenced by analysis_core::apply_analysis().

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine analysis_routines_twobody::get_structurefactor	(	real*8, intent(in)	time,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb)	PSI,
		complex*16, dimension(morb,morb), intent(in)	rho_jk,
		complex*16, dimension(morb,morb,morb,morb), intent(in)	rho_ijkl,
		real*8, intent(in)	xref,
		real*8, intent(in)	yref,
		real*8, intent(in)	zref
	)

References auxiliary_analysis_routines::assemble_outputfilename(), fft_laboratory::get_fft(), auxiliary_routines::get_ijk_from_m(), auxiliary_analysis_routines::get_m_0_from_xyz(), auxiliary_analysis_routines::get_weightormomentumgrid(), and auxiliary_fftroutines::sort_fft_to_ascending_2d().

Referenced by analysis_core::apply_analysis().

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine analysis_routines_twobody::lossops_two_bosons	(	real*8, intent(in)	time,
		complex16, dimension(ndvr_xndvr_y*ndvr_z,morb)	PSI,
		complex*16, dimension(morb,morb,morb,morb), intent(in)	rho_ijkl,
		real*8, intent(in)	border
	)

This routine computes the expectation values for N=2 particle loss operators when partitioning the two particle Hilbert space at 'border'.

References auxiliary_routines::get_ijk_from_m(), and auxiliary_routines::getdoubleasstring().

Referenced by analysis_core::apply_analysis().

Here is the call graph for this function:

Here is the caller graph for this function:

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

Module_Analysis_Routines_TwoBody.f90

Public Member Functions

Detailed Description

Member Function/Subroutine Documentation