38 #define _GRID_HICU_H_ 1 48 int use_error_per_volume,
49 int do_double_checking,
50 int compare_to_refined,
51 int use_energy_criterion,
52 int use_energy_criterion_only,
53 int do_variation_checking,
55 Dft::SparsePattern* pattern,
57 bool generateSparsePatternOnly);
63 Dft::SparsePattern& pattern);
static char * grid_file_name
Definition: grid_reader.cc:127
void grid_generate_sparse_pattern(const BasisInfoStruct &bis, ergo_real maxError, ergo_real boxSize, ergo_real startBoxSizeDebug, Dft::SparsePattern &pattern)
Definition: grid_hicu.cc:2814
double ergo_real
Definition: realtype.h:69
Declares a sparse matrix optimized for the XC code.
Definition: grid_matrix.h:44
int hicu_grid_generate(const char *grid_file_name, const BasisInfoStruct &bis, ergo_real maxError, ergo_real boxSize, ergo_real startBoxSizeDebug, int use_error_per_volume, int do_double_checking, int compare_to_refined, int use_energy_criterion, int use_energy_criterion_only, int do_variation_checking, const Dft::Matrix *dmat, Dft::SparsePattern *pattern, int nThreads, bool generateSparsePatternOnly)
Definition: grid_hicu.cc:2687
Definition: basisinfo.h:112
Generic matrix interface.