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compute_grid_for_box_params_struct Struct Reference

Public Member Functions

 compute_grid_for_box_params_struct (const BasisInfoStruct &bis_)

Public Attributes

const BasisInfoStruct & bis
DensitySpecStruct density
int noOfNonzeroBasisFuncs
int * nonZeroBasisFuncIndexList
int noOfNonzeroShells
int * nonZeroShellsIndexList
std::vector< real > localFullDensityMatrix
GridGenerationParamsStruct gridGenerationParams
int nShlblocks
int(* listShlblocks_otherformat )[2]
DftIntegratorBl * dftIntegrator
real * dmagao

Constructor & Destructor Documentation

◆ compute_grid_for_box_params_struct()

compute_grid_for_box_params_struct::compute_grid_for_box_params_struct ( const BasisInfoStruct & bis_)
inlineexplicit

References bis.

Member Data Documentation

◆ bis

const BasisInfoStruct& compute_grid_for_box_params_struct::bis

Referenced by compute_grid_for_box(), and compute_grid_for_box_params_struct().

◆ density

DensitySpecStruct compute_grid_for_box_params_struct::density

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

◆ dftIntegrator

DftIntegratorBl* compute_grid_for_box_params_struct::dftIntegrator

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

◆ dmagao

real* compute_grid_for_box_params_struct::dmagao

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

◆ gridGenerationParams

GridGenerationParamsStruct compute_grid_for_box_params_struct::gridGenerationParams

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

◆ listShlblocks_otherformat

int(* compute_grid_for_box_params_struct::listShlblocks_otherformat)[2]

Referenced by compute_grid_thread_func().

◆ localFullDensityMatrix

std::vector<real> compute_grid_for_box_params_struct::localFullDensityMatrix

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

◆ nonZeroBasisFuncIndexList

int* compute_grid_for_box_params_struct::nonZeroBasisFuncIndexList

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

◆ nonZeroShellsIndexList

int* compute_grid_for_box_params_struct::nonZeroShellsIndexList

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

◆ noOfNonzeroBasisFuncs

int compute_grid_for_box_params_struct::noOfNonzeroBasisFuncs

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

◆ noOfNonzeroShells

int compute_grid_for_box_params_struct::noOfNonzeroShells

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

◆ nShlblocks

int compute_grid_for_box_params_struct::nShlblocks

Referenced by compute_grid_thread_func().

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