PhysList Struct Reference

Physical quantities (Expectation value) More...

#include <struct.h>

Data Fields
double	energy
	Expectation value of the total energy. More...
double	doublon
	Expectation value of the Doublon. More...
double	doublon2
	Expectation value of the Square of doublon. More...
double	num
	Expectation value of the Number of electrons. More...
double	num2
	Expectation value of the quare of the number of electrons. More...
double	Sz
	Expectation value of the Total Sz. More...
double	Sz2
	Expectation value of the Square of total Sz. More...
double	var
	Expectation value of the Energy variance. More...
int	eigen_num
	Index of eigenstate used for the file name of the correlation function. More...
double	num_up
	Expectation value of the number of up-spin electtrons. More...
double	num_down
	Expectation value of the number of down-spin electtrons. More...
double	s2
	Expectation value of the square of the total S. More...
double *	all_energy
	[CheckList::idim_max+1] Energy for FullDiag and LOBPCG. malloc in setmem_large(). More...
double *	all_doublon
	[CheckList::idim_max+1] Doublon for FullDiag and LOBPCG. malloc in setmem_large(). More...
double *	all_sz
	[CheckList::idim_max+1] \(S_z\) for FullDiag and LOBPCG. malloc in setmem_large(). More...
double *	all_s2
	[CheckList::idim_max+1] \(S_z^2\) for FullDiag and LOBPCG. malloc in setmem_large(). More...
double *	all_num_up
	[CheckList::idim_max+1] Number of spin-up electrons for FullDiag and LOBPCG. malloc in setmem_large(). More...
double *	all_num_down
	[CheckList::idim_max+1] Number of spin-down electrons for FullDiag and LOBPCG. malloc in setmem_large(). More...
double *	spin_real_cor
	Malloc, but Not used ??? More...
double *	charge_real_cor
	Malloc, but Not used ??? More...
double *	loc_spin_z
	Malloc, but Not used ??? More...
double	Target_energy
	Is it really used ??? More...
double	Target_CG_energy
	Taget energy of CG-inversed iteration (NOT LOBCG) method. More...

Detailed Description

Physical quantities (Expectation value)

Definition at line 353 of file struct.h.

Field Documentation

all_doublon

double* PhysList::all_doublon

[CheckList::idim_max+1] Doublon for FullDiag and LOBPCG. malloc in setmem_large().

Definition at line 373 of file struct.h.

Referenced by CalcByLOBPCG(), output(), phys(), and setmem_large().

all_energy

double* PhysList::all_energy

[CheckList::idim_max+1] Energy for FullDiag and LOBPCG. malloc in setmem_large().

Definition at line 371 of file struct.h.

Referenced by CalcByLOBPCG(), output(), phys(), and setmem_large().

all_num_down

double* PhysList::all_num_down

[CheckList::idim_max+1] Number of spin-down electrons for FullDiag and LOBPCG. malloc in setmem_large().

Definition at line 381 of file struct.h.

Referenced by output(), phys(), and setmem_large().

all_num_up

double* PhysList::all_num_up

[CheckList::idim_max+1] Number of spin-up electrons for FullDiag and LOBPCG. malloc in setmem_large().

Definition at line 379 of file struct.h.

Referenced by output(), phys(), and setmem_large().

all_s2

double* PhysList::all_s2

[CheckList::idim_max+1] \(S_z^2\) for FullDiag and LOBPCG. malloc in setmem_large().

Definition at line 377 of file struct.h.

Referenced by output(), phys(), and setmem_large().

all_sz

double* PhysList::all_sz

[CheckList::idim_max+1] \(S_z\) for FullDiag and LOBPCG. malloc in setmem_large().

Definition at line 375 of file struct.h.

Referenced by CalcByLOBPCG(), output(), phys(), and setmem_large().

charge_real_cor

double* PhysList::charge_real_cor

Malloc, but Not used ???

Definition at line 386 of file struct.h.

Referenced by setmem_def().

doublon

double PhysList::doublon

Expectation value of the Doublon.

Definition at line 356 of file struct.h.

Referenced by CalcByLanczos(), CalcByTEM(), CalcByTPQ(), expec_energy_flct(), expec_energy_flct_GeneralSpin(), expec_energy_flct_GeneralSpinGC(), expec_energy_flct_HalfSpin(), expec_energy_flct_HalfSpinGC(), expec_energy_flct_Hubbard(), expec_energy_flct_HubbardGC(), and phys().

doublon2

double PhysList::doublon2

Expectation value of the Square of doublon.

Definition at line 357 of file struct.h.

Referenced by CalcByTEM(), CalcByTPQ(), expec_energy_flct(), expec_energy_flct_GeneralSpin(), expec_energy_flct_GeneralSpinGC(), expec_energy_flct_HalfSpin(), expec_energy_flct_HalfSpinGC(), expec_energy_flct_Hubbard(), and expec_energy_flct_HubbardGC().

eigen_num

int PhysList::eigen_num

Index of eigenstate used for the file name of the correlation function.

Definition at line 367 of file struct.h.

Referenced by expec_cisajs(), expec_cisajscktaltdc(), and phys().

energy

double PhysList::energy

Expectation value of the total energy.

Definition at line 355 of file struct.h.

Referenced by CalcByLanczos(), CalcByTEM(), CalcByTPQ(), expec_energy_flct(), Lz(), and phys().

loc_spin_z

double* PhysList::loc_spin_z

Malloc, but Not used ???

Definition at line 387 of file struct.h.

Referenced by setmem_def().

num

double PhysList::num

Expectation value of the Number of electrons.

Definition at line 358 of file struct.h.

Referenced by CalcByTEM(), CalcByTPQ(), expec_energy_flct(), expec_energy_flct_GeneralSpin(), expec_energy_flct_GeneralSpinGC(), expec_energy_flct_HalfSpin(), expec_energy_flct_HalfSpinGC(), expec_energy_flct_Hubbard(), and expec_energy_flct_HubbardGC().

num2

double PhysList::num2

Expectation value of the quare of the number of electrons.

Definition at line 359 of file struct.h.

Referenced by CalcByTEM(), CalcByTPQ(), expec_energy_flct(), expec_energy_flct_GeneralSpin(), expec_energy_flct_GeneralSpinGC(), expec_energy_flct_HalfSpin(), expec_energy_flct_HalfSpinGC(), expec_energy_flct_Hubbard(), and expec_energy_flct_HubbardGC().

num_down

double PhysList::num_down

Expectation value of the number of down-spin electtrons.

Definition at line 369 of file struct.h.

Referenced by expec_energy_flct_GeneralSpin(), expec_energy_flct_GeneralSpinGC(), expec_energy_flct_HalfSpin(), expec_energy_flct_HalfSpinGC(), expec_energy_flct_Hubbard(), expec_energy_flct_HubbardGC(), and phys().

num_up

double PhysList::num_up

Expectation value of the number of up-spin electtrons.

Definition at line 368 of file struct.h.

Referenced by expec_energy_flct_GeneralSpin(), expec_energy_flct_GeneralSpinGC(), expec_energy_flct_HalfSpin(), expec_energy_flct_HalfSpinGC(), expec_energy_flct_Hubbard(), expec_energy_flct_HubbardGC(), and phys().

s2

double PhysList::s2

Expectation value of the square of the total S.

Definition at line 370 of file struct.h.

Referenced by expec_totalspin(), phys(), totalspin_Hubbard(), totalspin_HubbardGC(), totalspin_Spin(), and totalspin_SpinGC().

spin_real_cor

double* PhysList::spin_real_cor

Malloc, but Not used ???

Definition at line 385 of file struct.h.

Referenced by setmem_def().

Sz

double PhysList::Sz

Expectation value of the Total Sz.

Definition at line 360 of file struct.h.

Referenced by CalcByLanczos(), CalcByTEM(), CalcByTPQ(), expec_energy_flct(), expec_energy_flct_GeneralSpin(), expec_energy_flct_GeneralSpinGC(), expec_energy_flct_HalfSpin(), expec_energy_flct_HalfSpinGC(), expec_energy_flct_Hubbard(), expec_energy_flct_HubbardGC(), expec_totalspin(), expec_totalSz(), phys(), totalspin_Hubbard(), totalspin_HubbardGC(), totalspin_Spin(), totalspin_SpinGC(), totalSz_HubbardGC(), and totalSz_SpinGC().

Sz2

double PhysList::Sz2

Expectation value of the Square of total Sz.

Definition at line 361 of file struct.h.

Referenced by CalcByTEM(), CalcByTPQ(), expec_energy_flct(), expec_energy_flct_GeneralSpin(), expec_energy_flct_GeneralSpinGC(), expec_energy_flct_HalfSpin(), expec_energy_flct_HalfSpinGC(), expec_energy_flct_Hubbard(), and expec_energy_flct_HubbardGC().

Target_CG_energy

double PhysList::Target_CG_energy

Taget energy of CG-inversed iteration (NOT LOBCG) method.

Definition at line 389 of file struct.h.

Referenced by CalcByLanczos(), CG_EigenVector(), and Lanczos_EigenValue().

Target_energy

double PhysList::Target_energy

Is it really used ???

Definition at line 388 of file struct.h.

Referenced by CalcByLanczos(), and Lanczos_EigenValue().

var

double PhysList::var

Expectation value of the Energy variance.

Definition at line 363 of file struct.h.

Referenced by CalcByLanczos(), CalcByTEM(), CalcByTPQ(), expec_energy_flct(), and Lz().

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

• include/struct.h