ergo
DensitySpecStruct Struct Reference

Public Attributes

int noOfShells
ShellSpecStructWithExtent * shellList
int nbast
const Dft::Matrix * dmat
BasisFuncStruct * basisFuncList
int noOfDistributions
DistributionSpecStruct * distrList

Member Data Documentation

◆ basisFuncList

BasisFuncStruct* DensitySpecStruct::basisFuncList

Referenced by grid_generate_sparse_pattern(), and hicu_grid_generate().

◆ distrList

DistributionSpecStruct* DensitySpecStruct::distrList

Referenced by compute_grid(), compute_grid_for_box(), compute_grid_thread_func(), grid_generate_sparse_pattern(), and hicu_grid_generate().

◆ dmat

const Dft::Matrix* DensitySpecStruct::dmat

Referenced by compute_grid_thread_func(), grid_generate_sparse_pattern(), hicu_grid_generate(), and integrate_density_and_energy().

◆ nbast

int DensitySpecStruct::nbast

Referenced by compute_grid(), compute_grid_thread_func(), compute_value_at_point(), grid_generate_sparse_pattern(), and hicu_grid_generate().

◆ noOfDistributions

int DensitySpecStruct::noOfDistributions

Referenced by compute_grid(), compute_grid_for_box(), compute_grid_thread_func(), grid_generate_sparse_pattern(), and hicu_grid_generate().

◆ noOfShells

int DensitySpecStruct::noOfShells

Referenced by compute_grid(), compute_grid_thread_func(), grid_generate_sparse_pattern(), and hicu_grid_generate().

◆ shellList

ShellSpecStructWithExtent* DensitySpecStruct::shellList

Referenced by compute_grid(), compute_grid_thread_func(), compute_value_at_point(), grid_generate_sparse_pattern(), and hicu_grid_generate().

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