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orbthrparms Struct Reference

List of all members.

Public Attributes
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
const float *	wave_f
const float *	basis_array
const float *	atompos
const int *	atom_basis
const int *	num_shells_per_atom
const int *	num_prim_per_shell
const int *	shell_symmetry
const int *	numvoxels
const float *	origin
float *	orbitalgrid
vmd_opencl_orbital_handle *	orbh
wkf_cpu_caps_t *	cpucaps
const float *	wave_f
const float *	basis_array
const float *	atompos
const int *	atom_basis
const int *	num_shells_per_atom
const int *	num_prim_per_shell
const int *	shell_types
const int *	numvoxels
const float *	origin
float *	orbitalgrid

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Member Data Documentation

const int* orbthrparms::atom_basis

Definition at line 1913 of file Orbital.C.

const int* orbthrparms::atom_basis

Definition at line 57 of file OpenCLOrbital.C.

const int* orbthrparms::atom_basis

Definition at line 103 of file CUDAOrbital.cu. Referenced by cudaorbitalthread, evaluate_grid_fast, openclorbitalthread, orbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

const float* orbthrparms::atompos

Definition at line 1912 of file Orbital.C.

const float* orbthrparms::atompos

Definition at line 56 of file OpenCLOrbital.C.

const float* orbthrparms::atompos

Definition at line 102 of file CUDAOrbital.cu. Referenced by cudaorbitalthread, evaluate_grid_fast, openclorbitalthread, orbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

const float* orbthrparms::basis_array

Definition at line 1911 of file Orbital.C.

const float* orbthrparms::basis_array

Definition at line 54 of file OpenCLOrbital.C.

const float* orbthrparms::basis_array

Definition at line 100 of file CUDAOrbital.cu. Referenced by cudaorbitalthread, evaluate_grid_fast, openclorbitalthread, orbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

wkf_cpu_caps_t* orbthrparms::cpucaps

Definition at line 1908 of file Orbital.C. Referenced by evaluate_grid_fast, and orbitalthread.

int orbthrparms::density

Definition at line 1919 of file Orbital.C. Referenced by cudaorbitalthread, evaluate_grid_fast, openclorbitalthread, orbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

int orbthrparms::num_basis

Definition at line 55 of file OpenCLOrbital.C. Referenced by cudaorbitalthread, openclorbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

const int* orbthrparms::num_prim_per_shell

Definition at line 1915 of file Orbital.C.

const int* orbthrparms::num_prim_per_shell

Definition at line 59 of file OpenCLOrbital.C.

const int* orbthrparms::num_prim_per_shell

Definition at line 105 of file CUDAOrbital.cu. Referenced by cudaorbitalthread, evaluate_grid_fast, openclorbitalthread, orbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

int orbthrparms::num_shells

Definition at line 61 of file OpenCLOrbital.C. Referenced by cudaorbitalthread, openclorbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

const int* orbthrparms::num_shells_per_atom

Definition at line 1914 of file Orbital.C.

const int* orbthrparms::num_shells_per_atom

Definition at line 58 of file OpenCLOrbital.C.

const int* orbthrparms::num_shells_per_atom

Definition at line 104 of file CUDAOrbital.cu. Referenced by cudaorbitalthread, evaluate_grid_fast, openclorbitalthread, orbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

int orbthrparms::num_wave_f

Definition at line 53 of file OpenCLOrbital.C. Referenced by cudaorbitalthread, openclorbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

int orbthrparms::numatoms

Definition at line 1909 of file Orbital.C. Referenced by cudaorbitalthread, evaluate_grid_fast, openclorbitalthread, orbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

const int* orbthrparms::numvoxels

Definition at line 1917 of file Orbital.C.

const int* orbthrparms::numvoxels

Definition at line 62 of file OpenCLOrbital.C.

const int* orbthrparms::numvoxels

Definition at line 108 of file CUDAOrbital.cu. Referenced by cudaorbitalthread, evaluate_grid_fast, openclorbitalthread, orbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

vmd_opencl_orbital_handle* orbthrparms::orbh

Definition at line 67 of file OpenCLOrbital.C. Referenced by openclorbitalthread, and vmd_opencl_evaluate_orbital_grid.

float* orbthrparms::orbitalgrid

Definition at line 1921 of file Orbital.C.

float* orbthrparms::orbitalgrid

Definition at line 66 of file OpenCLOrbital.C.

float* orbthrparms::orbitalgrid

Definition at line 112 of file CUDAOrbital.cu. Referenced by cudaorbitalthread, evaluate_grid_fast, openclorbitalthread, orbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

const float* orbthrparms::origin

Definition at line 1920 of file Orbital.C.

const float* orbthrparms::origin

Definition at line 64 of file OpenCLOrbital.C.

const float* orbthrparms::origin

Definition at line 110 of file CUDAOrbital.cu. Referenced by cudaorbitalthread, evaluate_grid_fast, openclorbitalthread, orbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

const int* orbthrparms::shell_symmetry

Definition at line 60 of file OpenCLOrbital.C. Referenced by openclorbitalthread, and vmd_opencl_evaluate_orbital_grid.

const int* orbthrparms::shell_types

Definition at line 1916 of file Orbital.C.

const int* orbthrparms::shell_types

Definition at line 106 of file CUDAOrbital.cu. Referenced by cudaorbitalthread, evaluate_grid_fast, orbitalthread, and vmd_cuda_evaluate_orbital_grid.

float orbthrparms::voxelsize

Definition at line 1918 of file Orbital.C. Referenced by cudaorbitalthread, evaluate_grid_fast, openclorbitalthread, orbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

const float* orbthrparms::wave_f

Definition at line 1910 of file Orbital.C.

const float* orbthrparms::wave_f

Definition at line 52 of file OpenCLOrbital.C.

const float* orbthrparms::wave_f

Definition at line 98 of file CUDAOrbital.cu. Referenced by cudaorbitalthread, evaluate_grid_fast, openclorbitalthread, orbitalthread, vmd_cuda_evaluate_orbital_grid, and vmd_opencl_evaluate_orbital_grid.

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The documentation for this struct was generated from the following files:

• CUDAOrbital.cu
• OpenCLOrbital.C
• Orbital.C

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