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().

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

• source/dft/grid_hicu.cc