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 |
compute_grid_for_box_params_struct::compute_grid_for_box_params_struct | ( | const BasisInfoStruct & | bis_ | ) | [inline, explicit] |
Referenced by compute_grid_for_box().
Referenced by compute_grid_for_box(), and compute_grid_thread_func().
Referenced by compute_grid_for_box(), and compute_grid_thread_func().
Referenced by compute_grid_for_box(), and compute_grid_thread_func().
Referenced by compute_grid_for_box(), and compute_grid_thread_func().
Referenced by compute_grid_thread_func().
Referenced by compute_grid_for_box(), and compute_grid_thread_func().
Referenced by compute_grid_for_box(), and compute_grid_thread_func().
Referenced by compute_grid_for_box(), and compute_grid_thread_func().
Referenced by compute_grid_for_box(), and compute_grid_thread_func().
Referenced by compute_grid_for_box(), and compute_grid_thread_func().
Referenced by compute_grid_thread_func().