#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <math.h>
#include "QuickSurf.h"
#include "Measure.h"
#include "Inform.h"
#include "utilities.h"
#include "WKFUtils.h"
#include "VolumetricData.h"
#include "VMDDisplayList.h"
#include "Displayable.h"
#include "DispCmds.h"
#include "ProfileHooks.h"
#include "VMDApp.h"
Go to the source code of this file.
Compounds | |
struct | densitythrparms |
union | flint_t |
Defines | |
#define | VMDQSURFUSESSE 1 |
#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) |
void | vmd_gaussdensity_neon (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) |
void | vmd_gaussdensity_opt (wkf_cpu_caps_t *cpucaps, 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) |
void * | densitythread (void *voidparms) |
void * | reductionthread (void *voidparms) |
int | vmd_gaussdensity_threaded (wkf_cpu_caps_t *cpucaps, 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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Definition at line 142 of file QuickSurf.C. Referenced by vmd_gaussdensity_avx2, and vmd_gaussdensity_opt. |
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Definition at line 162 of file QuickSurf.C. |
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Definition at line 158 of file QuickSurf.C. Referenced by vmd_gaussdensity_opt. |
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Definition at line 159 of file QuickSurf.C. Referenced by vmd_gaussdensity_opt. |
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Definition at line 76 of file QuickSurf.C. |
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Definition at line 75 of file QuickSurf.C. |
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Definition at line 145 of file QuickSurf.C. Referenced by vmd_gaussdensity_opt. |
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Definition at line 151 of file QuickSurf.C. Referenced by vmd_gaussdensity_opt. |
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Definition at line 152 of file QuickSurf.C. Referenced by vmd_gaussdensity_opt. |
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Definition at line 153 of file QuickSurf.C. Referenced by vmd_gaussdensity_opt. |
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Definition at line 154 of file QuickSurf.C. Referenced by vmd_gaussdensity_opt. |
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Definition at line 155 of file QuickSurf.C. Referenced by vmd_gaussdensity_opt. |
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Definition at line 31 of file QuickSurf.C. |
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Definition at line 947 of file QuickSurf.C. References wkf_tasktile_struct::end, NULL, densitythrparms::numvoxels, wkf_tasktile_struct::start, densitythrparms::thrdensitymaps, densitythrparms::thrvoltexmaps, WKF_SCHED_DONE, wkf_threadlaunch_getdata, wkf_threadlaunch_getid, and wkf_threadlaunch_next_tile. Referenced by vmd_gaussdensity_threaded. |
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Definition at line 133 of file QuickSurf_AVX2.C. |
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Referenced by vmd_gaussdensity_opt. |
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Definition at line 361 of file QuickSurf.C. References __align, CPU_AVX2, CPU_FMA, EXPOBIAS, EXPOSHIFT, flint_t::f, wkf_cpu_caps_struct::flags, gridspacing, isovalue, MAX, MIN, MLOG2EF, flint_t::n, n, NULL, SCEXP0, SCEXP1, SCEXP2, SCEXP3, SCEXP4, vec_add, vec_sub, vmd_gaussdensity_avx2, vmd_gaussdensity_neon, voltexmap, and z. Referenced by QuickSurf::calc_surf, and densitythread. |
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