diff --git a/source/source_lcao/module_gint/temp_gint/kernel/gint_gpu_vars.h b/source/source_lcao/module_gint/temp_gint/kernel/gint_gpu_vars.h deleted file mode 100644 index 5f711aa6a0f..00000000000 --- a/source/source_lcao/module_gint/temp_gint/kernel/gint_gpu_vars.h +++ /dev/null @@ -1,44 +0,0 @@ -#pragma once - -#include -#include "set_const_mem.cuh" -#include "source_base/ylm.h" -#include "source_cell/unitcell.h" -#include "source_cell/atom_spec.h" -#include "source_lcao/module_gint/biggrid_info.h" -#include "gint_helper.cuh" - -namespace ModuleGint -{ - -class GintGpuVars -{ - public: - GintGpuVars(std::shared_ptr bgrid_info, - const UnitCell& ucell, - const Numerical_Orbital* Phi); - ~GintGpuVars(); - - int nwmax; - double dr_uniform; - double nr_max; - // ylmcoef_d is __constant__ memory, no need to cudaFree - double* ylmcoef_d = nullptr; - double* rcut_d = nullptr; - int* atom_nw_d = nullptr; - int* ucell_atom_nwl_d = nullptr; - bool* atom_iw2_new_d = nullptr; - int* atom_iw2_ylm_d = nullptr; - int* atom_iw2_l_d = nullptr; - double* psi_u_d = nullptr; - double* dpsi_u_d = nullptr; - double* d2psi_u_d = nullptr; - double3* mgrids_pos_d = nullptr; - int* iat2it_d = nullptr; - - // the index of gpu device - int dev_id_ = 0; - -}; - -} \ No newline at end of file