#include <CL/cl.h>
#include "WKFThreads.h"
Go to the source code of this file.
Compounds | |
struct | vmd_opencl_orbital_handle |
Functions | |
int | vmd_opencl_vol_cpotential (long int natoms, float *atoms, float *grideners, long int numplane, long int numcol, long int numpt, float gridspacing) |
vmd_opencl_orbital_handle * | vmd_opencl_create_orbital_handle (cl_context ctx, cl_command_queue cmdq, cl_device_id *devs) |
int | vmd_opencl_destroy_orbital_handle (vmd_opencl_orbital_handle *orbh) |
int | vmd_opencl_evaluate_orbital_grid (wkf_threadpool_t *devpool, vmd_opencl_orbital_handle *orbh, int numatoms, const float *wave_f, int num_wave_f, const float *basis_array, int num_basis, const float *atompos, const int *atom_basis, const int *num_shells_per_atom, const int *num_prim_per_shell, const int *shell_types, int num_shells, const int *numvoxels, float voxelsize, const float *origin, int density, float *orbitalgrid) |
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Definition at line 711 of file OpenCLOrbital.C. |
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Definition at line 733 of file OpenCLOrbital.C. |
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Definition at line 1067 of file OpenCLOrbital.C. |
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Definition at line 260 of file OpenCLVolCPotential.C. |