Lemina
A molecular dynamics package for network, granular material and point particles with a range of interaction potential.
 
Loading...
Searching...
No Matches
SetupJob.c File Reference
#include <stdio.h>
#include "global.h"
+ Include dependency graph for SetupJob.c:

Go to the source code of this file.

Functions

void AllocArrays ()
 
void AccumProps (int icode)
 
void InitVacf ()
 
void SetupJob ()
 

Function Documentation

◆ AccumProps()

void AccumProps ( int icode)

Definition at line 25 of file AccumProps.c.

25 {
26 if(icode == 0){
29 sPressure = ssPressure = 0.;
30 sTotEnergy = ssTotEnergy = 0.;
31 svirSum = 0.;
32 }else if(icode == 1){
41 svirSum += virSum;
42 }else if(icode == 2){
52 } }
double totEnergy
Definition global.h:20
double ssPotEnergy
Definition global.h:22
double kinEnergy
Definition global.h:20
double ssPressure
Definition global.h:22
double sTotEnergy
Definition global.h:22
double ssKinEnergy
Definition global.h:22
#define Sqr(x)
Definition global.h:14
int stepAvg
Definition global.h:24
double svirSum
Definition global.h:21
double potEnergy
Definition global.h:20
double virSum
Definition global.h:21
double sPotEnergy
Definition global.h:21
double sKinEnergy
Definition global.h:21
double pressure
Definition global.h:21
double sPressure
Definition global.h:22
double ssTotEnergy
Definition global.h:22

References kinEnergy, potEnergy, pressure, sKinEnergy, sPotEnergy, sPressure, Sqr, ssKinEnergy, ssPotEnergy, ssPressure, ssTotEnergy, stepAvg, sTotEnergy, svirSum, totEnergy, and virSum.

Referenced by SetupJob().

+ Here is the caller graph for this function:

◆ AllocArrays()

void AllocArrays ( )

Definition at line 25 of file AllocArrays.c.

25 {
26 int n;
27
28 // SPACETIME CORRELATIONS
29 cfOrg = (double **) malloc ((nBuffCorr+1)*sizeof(double *));
30 for (n = 0; n <= nBuffCorr; n++)
31 cfOrg[n] = (double *) malloc ((2*nFunCorr+1)*sizeof(double));
32
33 cfVal = (double *) malloc ((2*nFunCorr+1)*sizeof(double));
34 indexCorr = (int *) malloc ((nBuffCorr+1)*sizeof(int));
35
36 spacetimeCorr = (double **) malloc ((nBuffCorr+1)*sizeof(double));
37 for (n = 0; n <= nBuffCorr; n++)
38 spacetimeCorr[n] = (double *) malloc ((nFunCorr*nValCorr+1)*sizeof(double));
39
40 spacetimeCorrAv = (double *) malloc ((nFunCorr*nValCorr+1)*sizeof(double));
41
42 // VISCOSITY
43 indexAcf = (double *)malloc((nBuffAcf+1)*sizeof(double));
44 viscAcf = (double **)malloc((nBuffAcf+1)*sizeof(double *));
45 for(n = 0 ; n <= nBuffAcf ; n ++)
46 viscAcf[n] = (double *)malloc((nValAcf+1)*sizeof(double ));
47
48 viscAcfOrg = (double *)malloc((nBuffAcf+1)*sizeof(double));
49 viscAcfAv = (double *)malloc((nValAcf+1)*sizeof(double));
50
51 // RDF
52 histRdf = (double *)malloc((sizeHistRdf+1)*sizeof(double));
53}
double * viscAcfAv
Definition global.h:99
int nValCorr
Definition global.h:95
double * spacetimeCorrAv
Definition global.h:94
int nValAcf
int nBuffAcf
Definition global.h:100
double ** spacetimeCorr
Definition global.h:94
int * indexCorr
double * indexAcf
double * histRdf
double ** viscAcf
Definition global.h:99
double * viscAcfOrg
Definition global.h:99
int nBuffCorr
Definition global.h:95
int sizeHistRdf
Definition global.h:104
double ** cfOrg
double * cfVal
Definition global.h:94
int nFunCorr
Definition global.h:95

References cfOrg, cfVal, histRdf, indexAcf, indexCorr, nBuffAcf, nBuffCorr, nFunCorr, nValAcf, nValCorr, sizeHistRdf, spacetimeCorr, spacetimeCorrAv, viscAcf, viscAcfAv, and viscAcfOrg.

Referenced by SetupJob().

+ Here is the caller graph for this function:

◆ InitVacf()

void InitVacf ( )

Definition at line 26 of file InitVacf.c.

26 {
27 int nb;
28 for(nb = 1 ; nb <= nBuffAcf ; nb ++)
29 indexAcf[nb] = -(nb-1)*nValAcf/nBuffAcf;
30 ZeroVacf();
31}
void ZeroVacf()
Definition ZeroVacf.c:25

References indexAcf, nBuffAcf, nValAcf, and ZeroVacf().

Referenced by SetupJob().

+ Here is the call graph for this function:
+ Here is the caller graph for this function:

◆ SetupJob()

void SetupJob ( )

Definition at line 27 of file SetupJob.c.

27 {
29 AccumProps(0);
30 InitVacf();
31 // INITIALISE SPACETIME CORRELATIONS
32 int n;
33 for (n = 1; n <= nBuffCorr; n++)
34 indexCorr[n] = -(n - 1)*nValCorr/nBuffCorr;
35
36 countCorrAv = 0.;
37
38 for (n = 1; n <= nFunCorr*nValCorr; n++)
39 spacetimeCorrAv[n] = 0.;
40
41 //RDF
42 countRdf = 0;
43}
void AllocArrays()
Definition AllocArrays.c:25
void AccumProps(int icode)
Definition AccumProps.c:25
void InitVacf()
Definition InitVacf.c:26
int countCorrAv
Definition global.h:95
int countRdf

References AccumProps(), AllocArrays(), countCorrAv, countRdf, indexCorr, InitVacf(), nBuffCorr, nFunCorr, nValCorr, and spacetimeCorrAv.

Referenced by main().

+ Here is the call graph for this function:
+ Here is the caller graph for this function: