void PrintSummary (FILE *fp)
{
fprintf (fp,
"%5d %8.4f %7.4f %7.4f %7.4f %7.4f %7.4f\n",
stepCount, timeNow, VCSum (vSum) / nMol, PropEst (totEnergy),
PropEst (kinEnergy));
fflush (fp);
}
int main (int argc, char **argv)
{
Prop **diff;
real *tVal;
int j, k, n, nData, nDataSkip, nv, nValDiffuse;
char buff[BUFF_LEN], *bp;
FILE *fp;
if ((fp = fopen (argv[1], "r")) == 0) {
printf ("no file\n");
exit (0);
}
while (1) {
bp = fgets (buff, BUFF_LEN, fp);
if (*bp == CHAR_MINUS) break;
NameVal (nValDiffuse);
}
AllocMem2 (diff, NDIFF, nValDiffuse, Prop);
for (j = 0; j < NDIFF; j ++) {
for (n = 0; n < nValDiffuse; n ++) PropZero (diff[j][n]);
}
AllocMem (tVal, nValDiffuse, real);
nDataSkip = 3;
nv = 0;
nData = 0;
while (1) {
if (! (bp = fgets (buff, BUFF_LEN, fp))) break;
if (! strncmp (bp, txtDiff, strlen (txtDiff))) {
if (++ nData > nDataSkip) {
++ nv;
for (n = 0; n < nValDiffuse; n ++) {
bp = fgets (buff, BUFF_LEN, fp);
tVal[n] = strtod (bp, &bp);
for (j = 0; j < NDIFF; j ++) {
diff[j][n].val = strtod (bp, &bp);
PropAccum (diff[j][n]);
}
}
}
}
}
fclose (fp);
printf ("%d\n", nv);
for (n = 0; n < nValDiffuse; n ++) {
printf ("%9.4f", tVal[n]);
for (j = 0; j < NDIFF; j ++) {
PropAvg (diff[j][n], nv);
printf (" %9.4f %9.4f", PropEst (diff[j][n]));
}
printf ("\n");
}
}
