ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
Loading...
Searching...
No Matches
Namespaces | Functions
gint_tools.cpp File Reference
#include "gint_tools.h"
#include <cmath>
#include <utility>
#include "source_base/timer.h"
#include "source_base/ylm.h"
#include "source_base/array_pool.h"
#include "source_basis/module_ao/ORB_read.h"
#include "source_pw/module_pwdft/global.h"
Include dependency graph for gint_tools.cpp:

Namespaces

namespace  Gint_Tools
 

Functions

void Gint_Tools::get_vindex (const int bxyz, const int bx, const int by, const int bz, const int nplane, const int start_ind, const int ncyz, int *vindex)
 Get the vindex form the grid index.
 
void Gint_Tools::get_gint_vldr3 (double *vldr3, const double *const vlocal, const int bxyz, const int bx, const int by, const int bz, const int nplane, const int start_ind, const int ncyz, const double dv)
 Get the vldr3 form the grid index.
 
void Gint_Tools::get_block_info (const Grid_Technique &gt, const int bxyz, const int na_grid, const int grid_index, int *block_iw, int *block_index, int *block_size, bool **cal_flag)
 Get the information of a big grid index.
 
void Gint_Tools::cal_dpsirr_ylm (const Grid_Technique &gt, const int bxyz, const int na_grid, const int grid_index, const int *const block_index, const int *const block_size, const bool *const *const cal_flag, double *const *const dpsir_ylm_x, double *const *const dpsir_ylm_y, double *const *const dpsir_ylm_z, double *const *const dpsirr_ylm)
 
ModuleBase::Array_Pool< double > Gint_Tools::get_psir_vlbr3 (const int bxyz, const int na_grid, const int LD_pool, const int *const block_index, const bool *const *const cal_flag, const double *const vldr3, const double *const *const psir_ylm)
 
std::pair< int, int > Gint_Tools::cal_info (const int bxyz, const int ia1, const int ia2, const bool *const *const cal_flag)