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[Thermo] Show large negative species concentrations in phase report

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Non-trivial negative concentrations generally indicate a problem, and shouldn't
be hidden.
This commit is contained in:
Ray Speth 2015-08-23 19:35:23 -04:00
parent 60b98b362c
commit 86835a5eeb
1 changed files with 3 additions and 3 deletions
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6
src/thermo/ThermoPhase.cpp
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@ -974,8 +974,8 @@ std::string ThermoPhase::report(bool show_thermo, doublereal threshold) const
"------------ ------------\n");
s += p;
for (size_t k = 0; k < m_kk; k++) {
if (x[k] >= threshold) {
if (x[k] > SmallNumber) {
if (abs(x[k]) >= threshold) {
if (abs(x[k]) > SmallNumber) {
sprintf(p, "%18s %12.6g %12.6g %12.6g\n",
speciesName(k).c_str(), x[k], y[k], mu[k]/RT());
} else {
@ -997,7 +997,7 @@ std::string ThermoPhase::report(bool show_thermo, doublereal threshold) const
" ------------\n");
s += p;
for (size_t k = 0; k < m_kk; k++) {
if (x[k] >= threshold) {
if (abs(x[k]) >= threshold) {
sprintf(p, "%18s %12.6g %12.6g\n",
speciesName(k).c_str(), x[k], y[k]);
s += p;