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bad indexing when some species have no Tvib #15

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merged 1 commit into from Oct 23, 2018
Merged

bad indexing when some species have no Tvib #15

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2 changes: 1 addition & 1 deletion src/collide.cpp
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Expand Up @@ -662,7 +662,7 @@ template < int NEARCP > void Collide::collisions_group()
for (jgroup = igroup; jgroup < ngroups; jgroup++) {
attempt = attempt_collision(icell,igroup,jgroup,volume);
nattempt = static_cast<int> (attempt);

if (nattempt) {
gpair[npair][0] = igroup;
gpair[npair][1] = jgroup;
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16 changes: 12 additions & 4 deletions src/compute_tvib_grid.cpp
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Expand Up @@ -401,23 +401,25 @@ double ComputeTvibGrid::post_process_grid(int index, int onecell, int nsample,
for (int icell = lo; icell < hi; icell++) {
evib = emap[0];
count = evib+1;

for (isp = 0; isp < nsp; isp++) {
ispecies = t2s[evib];
theta = species[ispecies].vibtemp[0];
if (theta == 0.0 || etally[icell][count] == 0.0) {
tspecies[isp] = 0.0;
evib += 2;
count = evib+1;
continue;
}
ibar = etally[icell][evib] / (etally[icell][count] * boltz * theta);
if (ibar == 0.0) {
tspecies[isp] = 0.0;
evib += 2;
count = evib+1;
continue;
}
tspecies[isp] = theta / (log(1.0 + 1.0/ibar));
//denom = boltz * etally[icell][count] * ibar * log(1.0 + 1.0/ibar);
//tspecies[isp] = etally[icell][evib] / denom;

evib += 2;
count = evib+1;
}
Expand Down Expand Up @@ -457,17 +459,20 @@ double ComputeTvibGrid::post_process_grid(int index, int onecell, int nsample,
theta = species[ispecies].vibtemp[imode];
if (theta == 0.0 || etally[icell][count] == 0.0) {
tspecies_mode[isp][imode] = 0.0;
evib += 2;
count = evib+1;
continue;
}
ibar = etally[icell][evib] / etally[icell][count];
if (ibar == 0.0) {
tspecies_mode[isp][imode] = 0.0;
evib += 2;
count = evib+1;
continue;
}
tspecies_mode[isp][imode] = theta / (log(1.0 + 1.0/ibar));
//denom = boltz * etally[icell][count] * ibar * log(1.0 + 1.0/ibar);
//tspecies_mode[isp][imode] = etally[icell][evib] / denom;

evib += 2;
count = evib+1;
}
Expand Down Expand Up @@ -511,17 +516,20 @@ double ComputeTvibGrid::post_process_grid(int index, int onecell, int nsample,
theta = species[ispecies].vibtemp[imode];
if (theta == 0.0 || etally[icell][count] == 0.0) {
tspecies_mode[isp][imode] = 0.0;
evib += 2*maxmode;
count = evib+1;
continue;
}
ibar = etally[icell][evib] / etally[icell][count];
if (ibar == 0.0) {
tspecies_mode[isp][imode] = 0.0;
evib += 2*maxmode;
count = evib+1;
continue;
}
tspecies_mode[isp][imode] = theta / (log(1.0 + 1.0/ibar));
//denom = boltz * etally[icell][count] * ibar * log(1.0 + 1.0/ibar);
//tspecies_mode[isp][imode] = etally[icell][evib] / denom;

evib += 2*maxmode;
count = evib+1;
}
Expand Down