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Atomic-orbital Based Ab-initio Computation at UStc
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Grid_Driver Member List

This is the complete list of members for Grid_Driver, including all inherited members.

adj_infoGrid_Drivermutableprivate
all_adj_infoGrid
atoms_in_boxGrid
box_edge_lengthGrid
box_nxGrid
box_nyGrid
box_nzGrid
Check_Expand_Condition(const UnitCell &ucell)Gridprivate
clear_adj_info()Gridinline
clear_atoms()Gridinline
Construct_Adjacent(const UnitCell &ucell)Gridprivate
Construct_Adjacent_final(const FAtom &fatom1, FAtom *fatom2)Gridprivate
Construct_Adjacent_near_box(const FAtom &fatom)Gridprivate
fft_ggGrid
fft_gridGrid
Find_atom(const UnitCell &ucell, const int ntype, const int nnumber, AdjacentAtomInfo *adjs=nullptr) constGrid_Driver
Find_atom(const UnitCell &ucell, const ModuleBase::Vector3< double > &cartesian_posi, const int &ntype, const int &nnumber, AdjacentAtomInfo *adjs=nullptr) constGrid_Driver
getAdjacentNum() constGrid_Driverinline
getAdjacentTau(const int i) constGrid_Driverinline
getBox(const int i) constGrid_Driverinline
Grid::getBox(int &bx, int &by, int &bz, const double &x, const double &y, const double &z)Gridinline
getGlayerX() constGridinline
getGlayerX_minus() constGridinline
getGlayerY() constGridinline
getGlayerY_minus() constGridinline
getGlayerZ() constGridinline
getGlayerZ_minus() constGridinline
getNatom(const int i) constGrid_Driverinline
getType(const int i) constGrid_Driverinline
glayerXGridprivate
glayerX_minusGridprivate
glayerYGridprivate
glayerY_minusGridprivate
glayerZGridprivate
glayerZ_minusGridprivate
Grid()Gridinline
Grid(const int &test_grid_in)Grid
Grid_Driver()Grid_Driverinline
Grid_Driver(const int &test_d_in, const int &test_grid_in)Grid_Driver
init(std::ofstream &ofs, const UnitCell &ucell, const double radius_in, const bool boundary=true)Grid
initBccRecipGrid(const int fftdim, const double a, const int index, const torch::Device device, double *volume, std::vector< std::vector< torch::Tensor > > &grid, std::vector< torch::Tensor > &gg)Gridprivate
initFccRecipGrid(const int fftdim, const double a, const int index, const torch::Device device, double *volume, std::vector< std::vector< torch::Tensor > > &grid, std::vector< torch::Tensor > &gg)Gridprivate
initGrid(const int fftdim, const int ndata, const std::string *cell, const double *a, const torch::Device device, double *volume)Grid
initGrid_(const int fftdim, const int ndata, const std::string *cell, const double *a, const torch::Device device, double *volume, std::vector< std::vector< torch::Tensor > > &grid, std::vector< torch::Tensor > &gg)Gridprivate
initScRecipGrid(const int fftdim, const double a, const int index, const torch::Device device, double *volume, std::vector< std::vector< torch::Tensor > > &grid, std::vector< torch::Tensor > &gg)Gridprivate
operator=(Grid_Driver &&)=defaultGrid_Driver
Grid::operator=(Grid &&)=defaultGrid
pbcGrid
setMemberVariables(std::ofstream &ofs_in, const UnitCell &ucell)Gridprivate
sradiusGrid
sradius2Grid
test_deconstructorGrid_Driverprivate
test_gridGridprivate
x_maxGrid
x_minGrid
y_maxGrid
y_minGrid
z_maxGrid
z_minGrid
~Grid()Gridvirtual
~Grid_Driver()Grid_Driver