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QuickSurf_AVX2.C File Reference

SIMD vectorized gaussian surface kernels for x86 CPUs with AVX2+FMA instructions. More...

#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <math.h>
#include "QuickSurf.h"
#include "Inform.h"
#include "utilities.h"
#include "WKFUtils.h"
#include "VolumetricData.h"
#include "VMDDisplayList.h"
#include "Displayable.h"
#include "DispCmds.h"

Go to the source code of this file.

Compounds
union	flint_t
Defines
#define	MIN(X, Y)   (((X)<(Y))? (X) : (Y))
#define	MAX(X, Y)   (((X)>(Y))? (X) : (Y))
#define	__align(X)   __declspec(align(X) )
#define	MLOG2EF   -1.44269504088896f
#define	SCEXP0   1.0000000000000000f
#define	SCEXP1   0.6987082824680118f
#define	SCEXP2   0.2633174272827404f
#define	SCEXP3   0.0923611991471395f
#define	SCEXP4   0.0277520543324108f
#define	EXPOBIAS   127
#define	EXPOSHIFT   23
#define	ACUTOFF   -10
Typedefs
typedef flint_t	flint
Functions
void	vmd_gaussdensity_avx2 (int verbose, int natoms, const float *xyzr, const float *atomicnum, const float *colors, float *densitymap, float *voltexmap, const int *numvoxels, float radscale, float gridspacing, float isovalue, float gausslim)

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Detailed Description

SIMD vectorized gaussian surface kernels for x86 CPUs with AVX2+FMA instructions.

Definition in file QuickSurf_AVX2.C.

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Define Documentation

#define __align (  X    )     __declspec(align(X) )

Definition at line 92 of file QuickSurf_AVX2.C.

#define ACUTOFF   -10

Definition at line 113 of file QuickSurf_AVX2.C.

#define EXPOBIAS   127

Definition at line 108 of file QuickSurf_AVX2.C. Referenced by vmd_gaussdensity_avx2.

#define EXPOSHIFT   23

Definition at line 109 of file QuickSurf_AVX2.C. Referenced by vmd_gaussdensity_avx2.

#define MAX (  X, Y    )     (((X)>(Y))? (X) : (Y))

Definition at line 44 of file QuickSurf_AVX2.C.

#define MIN (  X, Y    )     (((X)<(Y))? (X) : (Y))

Definition at line 43 of file QuickSurf_AVX2.C.

#define MLOG2EF   -1.44269504088896f

Definition at line 95 of file QuickSurf_AVX2.C. Referenced by vmd_gaussdensity_avx2.

#define SCEXP0   1.0000000000000000f

Definition at line 101 of file QuickSurf_AVX2.C. Referenced by vmd_gaussdensity_avx2.

#define SCEXP1   0.6987082824680118f

Definition at line 102 of file QuickSurf_AVX2.C. Referenced by vmd_gaussdensity_avx2.

#define SCEXP2   0.2633174272827404f

Definition at line 103 of file QuickSurf_AVX2.C. Referenced by vmd_gaussdensity_avx2.

#define SCEXP3   0.0923611991471395f

Definition at line 104 of file QuickSurf_AVX2.C. Referenced by vmd_gaussdensity_avx2.

#define SCEXP4   0.0277520543324108f

Definition at line 105 of file QuickSurf_AVX2.C. Referenced by vmd_gaussdensity_avx2.

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Typedef Documentation

typedef union flint_t flint

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Function Documentation

void vmd_gaussdensity_avx2 (  int    verbose, int    natoms, const float *    xyzr, const float *    atomicnum, const float *    colors, float *    densitymap, float *    voltexmap, const int *    numvoxels, float    radscale, float    gridspacing, float    isovalue, float    gausslim )

Definition at line 133 of file QuickSurf_AVX2.C. References __align, EXPOBIAS, EXPOSHIFT, flint_t::f, gridspacing, isovalue, MAX, MIN, MLOG2EF, flint_t::n, n, NULL, SCEXP0, SCEXP1, SCEXP2, SCEXP3, SCEXP4, voltexmap, and z. Referenced by vmd_gaussdensity_opt.

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