PhysList Struct Reference

Physical quantities (Expectation value) More...

#include <struct.hpp>

Public Attributes
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 *	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 *	var
	Expectation value of the Energy variance. 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 354 of file struct.hpp.

Member Data Documentation

charge_real_cor

double* PhysList::charge_real_cor

Malloc, but Not used ???

Definition at line 371 of file struct.hpp.

Referenced by setmem_def().

doublon

double* PhysList::doublon

Expectation value of the Doublon.

Definition at line 357 of file struct.hpp.

Referenced by CalcByLOBPCG(), CalcByTEM(), CalcByTPQ(), CalcSpectrum(), 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(), output(), phys(), and setmem_large().

doublon2

double* PhysList::doublon2

Expectation value of the Square of doublon.

Definition at line 358 of file struct.hpp.

Referenced by CalcByTEM(), CalcByTPQ(), CalcSpectrum(), 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 setmem_large().

energy

double* PhysList::energy

Expectation value of the total energy.

Definition at line 356 of file struct.hpp.

Referenced by CalcByLOBPCG(), CalcByTEM(), CalcByTPQ(), CalcSpectrum(), CalcSpectrumByFullDiag(), expec_energy_flct(), lapack_diag(), output(), phys(), and setmem_large().

loc_spin_z

double* PhysList::loc_spin_z

Malloc, but Not used ???

Definition at line 372 of file struct.hpp.

Referenced by setmem_def().

num

double* PhysList::num

Expectation value of the Number of electrons.

Definition at line 359 of file struct.hpp.

Referenced by CalcByTEM(), CalcByTPQ(), CalcSpectrum(), 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 setmem_large().

num2

double* PhysList::num2

Expectation value of the quare of the number of electrons.

Definition at line 360 of file struct.hpp.

Referenced by CalcByTEM(), CalcByTPQ(), CalcSpectrum(), 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 setmem_large().

num_down

double* PhysList::num_down

Expectation value of the number of down-spin electtrons.

Definition at line 364 of file struct.hpp.

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

num_up

double* PhysList::num_up

Expectation value of the number of up-spin electtrons.

Definition at line 363 of file struct.hpp.

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

s2

double* PhysList::s2

Expectation value of the square of the total S.

Definition at line 365 of file struct.hpp.

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

spin_real_cor

double* PhysList::spin_real_cor

Malloc, but Not used ???

Definition at line 370 of file struct.hpp.

Referenced by setmem_def().

Sz

double* PhysList::Sz

Expectation value of the Total Sz.

Definition at line 361 of file struct.hpp.

Referenced by CalcByLOBPCG(), CalcByTEM(), CalcByTPQ(), CalcSpectrum(), 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(), output(), phys(), setmem_large(), totalspin_Hubbard(), totalspin_HubbardGC(), totalspin_Spin(), and totalspin_SpinGC().

Sz2

double* PhysList::Sz2

Expectation value of the Square of total Sz.

Definition at line 362 of file struct.hpp.

Referenced by CalcByTEM(), CalcByTPQ(), CalcSpectrum(), 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 setmem_large().

Target_CG_energy

double PhysList::Target_CG_energy

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

Definition at line 374 of file struct.hpp.

Target_energy

double PhysList::Target_energy

Is it really used ???

Definition at line 373 of file struct.hpp.

var

double* PhysList::var

Expectation value of the Energy variance.

Definition at line 367 of file struct.hpp.

Referenced by CalcByTEM(), CalcByTPQ(), CalcSpectrum(), expec_energy_flct(), and setmem_large().

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

• /mnt/c/Users/kawamuura/program/hphi/hphi/src/include/struct.hpp