compute_grid_for_box_params_struct Struct Reference

List of all members.

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

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Constructor & Destructor Documentation

compute_grid_for_box_params_struct::compute_grid_for_box_params_struct

(

const BasisInfoStruct &

bis_

)

[inline, explicit]

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Member Data Documentation

const BasisInfoStruct& compute_grid_for_box_params_struct::bis

Referenced by compute_grid_for_box().

DensitySpecStruct compute_grid_for_box_params_struct::density

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

DftIntegratorBl* compute_grid_for_box_params_struct::dftIntegrator

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

real* compute_grid_for_box_params_struct::dmagao

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

GridGenerationParamsStruct compute_grid_for_box_params_struct::gridGenerationParams

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

int(* compute_grid_for_box_params_struct::listShlblocks_otherformat)[2]

Referenced by compute_grid_thread_func().

std::vector<real> compute_grid_for_box_params_struct::localFullDensityMatrix

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

int* compute_grid_for_box_params_struct::nonZeroBasisFuncIndexList

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

int* compute_grid_for_box_params_struct::nonZeroShellsIndexList

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

int compute_grid_for_box_params_struct::noOfNonzeroBasisFuncs

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

int compute_grid_for_box_params_struct::noOfNonzeroShells

Referenced by compute_grid_for_box(), and compute_grid_thread_func().

int compute_grid_for_box_params_struct::nShlblocks

Referenced by compute_grid_thread_func().

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

• source/dft/grid_hicu.cc