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VolCPotential.C File Reference

#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include <string.h>
#include "config.h"
#include "utilities.h"
#include "Inform.h"
#include "WKFThreads.h"
#include "WKFUtils.h"
#include "VolCPotential.h"

Go to the source code of this file.

Compounds
struct	enthrparms
Defines
#define	FLOPSPERATOMEVAL   6.0
Functions
void *	energythread (void *voidparms)
int	vol_cpotential_cpu (long int natoms, float *atoms, float *grideners, long int numplane, long int numcol, long int numpt, float gridspacing)
int	vol_cpotential (long int natoms, float *atoms, float *grideners, long int numplane, long int numcol, long int numpt, float gridspacing)

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Define Documentation

#define FLOPSPERATOMEVAL   6.0

Definition at line 49 of file VolCPotential.C. Referenced by vol_cpotential_cpu.

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Function Documentation

void* energythread (  void *    voidparms )

Definition at line 50 of file VolCPotential.C. References enthrparms::atoms, atoms, wkf_tasktile_struct::end, colvar::f, enthrparms::grideners, enthrparms::gridspacing, gridspacing, n, enthrparms::natoms, NULL, enthrparms::numcol, enthrparms::numplane, enthrparms::numpt, wkf_tasktile_struct::start, wkf_msg_timer_create, wkf_msg_timer_destroy, wkf_msg_timer_timeout, WKF_SCHED_DONE, wkf_threadlaunch_getdata, wkf_threadlaunch_getid, wkf_threadlaunch_next_tile, wkf_timer_create, wkf_timer_destroy, wkf_timer_start, wkf_timer_timenow, wkf_timerhandle, and z. Referenced by vol_cpotential_cpu.

int vol_cpotential (  long int    natoms, float *    atoms, float *    grideners, long int    numplane, long int    numcol, long int    numpt, float    gridspacing )

Definition at line 338 of file VolCPotential.C. References atoms, gridspacing, vmd_cuda_vol_cpotential, vmd_opencl_vol_cpotential, vol_cpotential_cpu, wkf_timer_create, wkf_timer_destroy, wkf_timer_start, wkf_timer_timenow, and wkf_timerhandle.

int vol_cpotential_cpu (  long int    natoms, float *    atoms, float *    grideners, long int    numplane, long int    numcol, long int    numpt, float    gridspacing )  [static]

Definition at line 290 of file VolCPotential.C. References enthrparms::atoms, atoms, wkf_tasktile_struct::end, energythread, FLOPSPERATOMEVAL, enthrparms::grideners, enthrparms::gridspacing, gridspacing, enthrparms::natoms, enthrparms::numcol, enthrparms::numplane, enthrparms::numpt, wkf_tasktile_struct::start, wkf_thread_numprocessors, wkf_threadlaunch, wkf_timer_create, wkf_timer_destroy, wkf_timer_start, wkf_timer_stop, wkf_timer_time, and wkf_timerhandle. Referenced by vol_cpotential.

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