snap_psibeta_gpu.h File Reference

#include "source_base/vector3.h"
#include "source_basis/module_ao/ORB_read.h"
#include "source_basis/module_ao/parallel_orbitals.h"
#include "source_cell/module_neighbor/sltk_grid_driver.h"
#include "source_cell/setup_nonlocal.h"
#include "source_cell/unitcell.h"
#include <complex>
#include <unordered_map>
#include <vector>

Include dependency graph for snap_psibeta_gpu.h:

Go to the source code of this file.

Namespaces
namespace	module_rt
namespace	module_rt::gpu

Functions
void	module_rt::gpu::initialize_gpu_resources ()
	Initialize GPU resources (copy grids to constant memory) Should be called at the start of each calculate_HR.
void	module_rt::gpu::finalize_gpu_resources ()
	Release GPU resources (clear any error states) Should be called at the end of each calculate_HR.
void	module_rt::gpu::snap_psibeta_atom_batch_gpu (const LCAO_Orbitals &orb, const InfoNonlocal &infoNL_, const int T0, const ModuleBase::Vector3< double > &R0, const ModuleBase::Vector3< double > &A, const AdjacentAtomInfo &adjs, const UnitCell *ucell, const Parallel_Orbitals *paraV, const int npol, const int nlm_dim, std::vector< std::vector< std::unordered_map< int, std::vector< std::complex< double > > > > > &nlm_tot)
	Atom-level GPU batch processing interface.