Beispiel #1
0
Site *site;
MSite *mSite;
VecR region, vSum;
VecI initUcell;
real deltaT, density, rCut, temperature, timeNow, uSum, velMag, vvSum;
Prop kinEnergy, totEnergy;
int moreCycles, nMol, stepAvg, stepCount, stepEquil, stepLimit;
VecR mInert;
real bCon, vvqSum;
int sitesMol;
int stepAdjustTemp;
real **histRdf, rangeRdf;
int countRdf, limitRdf, sizeHistRdf, stepRdf;

NameList nameList[] = {
  NameR (deltaT),
  NameR (density),
  NameI (initUcell),
  NameI (limitRdf),
  NameR (rangeRdf),
  NameR (rCut),
  NameI (sizeHistRdf),
  NameI (stepAdjustTemp),
  NameI (stepAvg),
  NameI (stepEquil),
  NameI (stepLimit),
  NameI (stepRdf),
  NameR (temperature),
};

Beispiel #2
0
  VecI inCell;
} Mol;

Mol *mol;
EvTree *evTree;
VecR region, vSum;
VecI cellRange[2], cells, initUcell;
real collCount, crossCount, density, intervalSum, kinEnVal, nextSumTime,
   temperature, timeNow, velMag;
int *cellList, eventCount, eventMult, evIdA, evIdB, limitEventCount, moreCycles,
   nMol, poolSize;
real *histFreePath, rangeFreePath;
int countFreePath, limitFreePath, sizeHistFreePath;

NameList nameList[] = {
  NameR (density),
  NameI (eventMult),
  NameI (initUcell),
  NameR (intervalSum),
  NameI (limitEventCount),
  NameI (limitFreePath),
  NameR (rangeFreePath),
  NameI (sizeHistFreePath),
  NameR (temperature),
};


int main (int argc, char **argv)
{
  GetNameList (argc, argv);
  //PrintNameList (stdout);
Beispiel #3
0
typedef struct {
    VecR r, rv, ra;
} Mol;

Mol *mol;
VecR region, vSum;
VecI initUcell;
real deltaT, density, rCut, temperature, timeNow, uSum, velMag, vvSum;
Prop kinEnergy, totEnergy;
int moreCycles, nMol, stepAvg, stepCount, stepEquil, stepLimit;
real virSum;
Prop pressure;

NameList nameList[] = {
    NameR (deltaT),
    NameR (density),
    NameI (initUcell),
    NameI (stepAvg),
    NameI (stepEquil),
    NameI (stepLimit),
    NameR (temperature),
};


int main (int argc, char **argv)
{
    GetNameList (argc, argv);
    //PrintNameList (stdout);
    SetParams ();
    SetupJob ();
Beispiel #4
0
VecI cellRange[2], cells, initUcell;
real collCount, crossCount, density, intervalSum, kinEnVal, nextSumTime,
   temperature, timeNow, velMag;
int *cellList, eventCount, eventMult, evIdA, evIdB, limitEventCount, moreCycles,
   nMol, poolSize, runId;
VecR gravField;
real totEnVal;
VecR roughWid;
real wallTemp[2];
int thermalWall[NDIM];
VecI sizeHistGrid;
real **histGrid, *profileD, *profileT, intervalGrid, nextSnapTime;
int countGrid, limitGrid, snapNumber;

NameList nameList[] = {
  NameR (density),
  NameI (eventMult),
  NameR (gravField),
  NameI (initUcell),
  NameR (intervalGrid),
  NameR (intervalSum),
  NameI (limitEventCount),
  NameI (limitGrid),
  NameI (runId),
  NameI (sizeHistGrid),
  NameR (temperature),
  NameI (thermalWall),
  NameR (wallTemp),
};

Beispiel #5
0
  VecI inCell;
} Mol;

Mol *mol;
EvTree *evTree;
VecR region, vSum;
VecI cellRange[2], cells, initUcell;
real collCount, crossCount, density, intervalSum, nextSumTime,
   kinEnVal, temperature, timeNow, velMag;
int *cellList, eventCount, eventMult, evIdA, evIdB, limitEventCount, moreCycles,
   nMol, poolSize;
real *histRdf, intervalRdf, nextRdfTime, rangeRdf;
int countRdf, limitRdf, sizeHistRdf;

NameList nameList[] = {
  NameR (density),
  NameI (eventMult),
  NameI (initUcell),
  NameR (intervalRdf),
  NameR (intervalSum),
  NameI (limitEventCount),
  NameI (limitRdf),
  NameR (rangeRdf),
  NameI (sizeHistRdf),
  NameR (temperature),
};


int main (int argc, char **argv)
{
  GetNameList (argc, argv);
Beispiel #6
0
Mol *mol;
VecR region, vSum;
VecI initUcell;
real deltaT, density, rCut, temperature, timeNow, uSum, velMag, vvSum;
Prop kinEnergy, totEnergy;
int moreCycles, nMol, randSeed, stepAvg, stepCount, stepEquil, stepLimit;
VecR **tCos, **tSin;
real alpha, dipoleInt, mInert, vvsSum;
int fSpaceLimit;
Prop dipoleOrder;
int stepAdjustTemp;
real **histRdf, rangeRdf;
int countRdf, limitRdf, sizeHistRdf, stepRdf;

NameList nameList[] = {
  NameR (alpha),
  NameR (deltaT),
  NameR (density),
  NameR (dipoleInt),
  NameI (fSpaceLimit),
  NameI (initUcell),
  NameI (limitRdf),
  NameR (mInert),
  NameI (randSeed),
  NameR (rangeRdf),
  NameI (sizeHistRdf),
  NameI (stepAdjustTemp),
  NameI (stepAvg),
  NameI (stepEquil),
  NameI (stepLimit),
  NameI (stepRdf),