ergo
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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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inlineexplicit |
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().