Main Page Namespace List Class Hierarchy Alphabetical List Compound List File List Namespace Members Compound Members File Members Related Pages

OpenCLKernels.h File Reference

#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)

Function Documentation

vmd_opencl_orbital_handle* vmd_opencl_create_orbital_handle ( cl_context ctx,

cl_command_queue cmdq,

cl_device_id * devs

)

Definition at line 711 of file OpenCLOrbital.C.

int vmd_opencl_destroy_orbital_handle ( vmd_opencl_orbital_handle * orbh )

Definition at line 733 of file OpenCLOrbital.C.

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

)

Definition at line 1067 of file OpenCLOrbital.C.

int vmd_opencl_vol_cpotential ( long int natoms,

float * atoms,

float * grideners,

long int numplane,

long int numcol,

long int numpt,

float gridspacing

)

Definition at line 260 of file OpenCLVolCPotential.C.

Generated on Thu Apr 25 02:44:06 2024 for VMD (current) by

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)