HΦ  3.1.0
Data Fields
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 352 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 372 of file struct.h.

Referenced by CalcByLOBPCG().

◆ all_energy

double* PhysList::all_energy

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

Definition at line 370 of file struct.h.

Referenced by CalcByLOBPCG().

◆ 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 380 of file struct.h.

◆ 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 378 of file struct.h.

◆ all_s2

double* PhysList::all_s2

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

Definition at line 376 of file struct.h.

◆ all_sz

double* PhysList::all_sz

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

Definition at line 374 of file struct.h.

Referenced by CalcByLOBPCG().

◆ charge_real_cor

double* PhysList::charge_real_cor

Malloc, but Not used ???

Definition at line 385 of file struct.h.

◆ doublon

double PhysList::doublon

Expectation value of the Doublon.

Definition at line 355 of file struct.h.

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

◆ doublon2

double PhysList::doublon2

Expectation value of the Square of doublon.

Definition at line 356 of file struct.h.

Referenced by CalcByTEM(), and CalcByTPQ().

◆ eigen_num

int PhysList::eigen_num

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

Definition at line 366 of file struct.h.

◆ energy

double PhysList::energy

Expectation value of the total energy.

Definition at line 354 of file struct.h.

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

◆ loc_spin_z

double* PhysList::loc_spin_z

Malloc, but Not used ???

Definition at line 386 of file struct.h.

◆ num

double PhysList::num

Expectation value of the Number of electrons.

Definition at line 357 of file struct.h.

Referenced by CalcByTEM(), and CalcByTPQ().

◆ num2

double PhysList::num2

Expectation value of the quare of the number of electrons.

Definition at line 358 of file struct.h.

Referenced by CalcByTEM(), and CalcByTPQ().

◆ num_down

double PhysList::num_down

Expectation value of the number of down-spin electtrons.

Definition at line 368 of file struct.h.

◆ num_up

double PhysList::num_up

Expectation value of the number of up-spin electtrons.

Definition at line 367 of file struct.h.

◆ s2

double PhysList::s2

Expectation value of the square of the total S.

Definition at line 369 of file struct.h.

◆ spin_real_cor

double* PhysList::spin_real_cor

Malloc, but Not used ???

Definition at line 384 of file struct.h.

◆ Sz

double PhysList::Sz

Expectation value of the Total Sz.

Definition at line 359 of file struct.h.

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

◆ Sz2

double PhysList::Sz2

Expectation value of the Square of total Sz.

Definition at line 360 of file struct.h.

Referenced by CalcByTEM(), and CalcByTPQ().

◆ Target_CG_energy

double PhysList::Target_CG_energy

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

Definition at line 388 of file struct.h.

Referenced by CalcByLanczos().

◆ Target_energy

double PhysList::Target_energy

Is it really used ???

Definition at line 387 of file struct.h.

Referenced by CalcByLanczos().

◆ var

double PhysList::var

Expectation value of the Energy variance.

Definition at line 362 of file struct.h.

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

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