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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
gint_rho_gpu.h File Reference
#include <cublas_v2.h>
#include <cuda.h>
#include <cuda_runtime.h>
#include "source_lcao/module_gint/gint.h"
#include "source_lcao/module_gint/grid_technique.h"
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Namespaces

namespace  GintKernel
 

Functions

void GintKernel::gint_rho_gpu (const hamilt::HContainer< double > *dm, const double *ylmcoef_now, const double dr, const double *rcut, const Grid_Technique &gridt, const UnitCell &ucell, double *rho)
 
void GintKernel::gtask_rho (const Grid_Technique &gridt, const int grid_index_ij, const UnitCell &ucell, double *dr_part, uint8_t *atoms_type, int *atoms_num_info, int &atoms_per_z)
 
void GintKernel::alloc_mult_dot_rho (const hamilt::HContainer< double > *dm, const Grid_Technique &gridt, const UnitCell &ucell, const int grid_index_ij, const int max_atom, const int lgd, const int nczp, const int *atoms_num_info, double *const psir_ylm_g, double *const psir_dm_g, double *const dm_matrix_g, double *mat_alpha, int *mat_m, int *mat_n, int *mat_k, int *mat_lda, int *mat_ldb, int *mat_ldc, double **mat_A, double **mat_B, double **mat_C, int &max_m, int &max_n, int &atom_pair_num, double *rho_g, double **dot_product)