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feat(Comoposition-Tracking): updated GridFire to use new, molar-abundance based, version of libcomposition (v2.0.6)

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This entailed a major rewrite of the composition handling from each engine and engine view along with the solver and primer. The intent here is to let Compositions be constructed from the same extensive property which the solver tracks internally. This addressed C0 discontinuity issues in the tracked molar abundances of species which were introduced by repeadidly swaping from molar abundance space to mass fraction space and back. This also allowed for a simplification of the primeNetwork method. Specifically the mass borrowing system was dramatically simplified as molar abundances are extensive.
This commit is contained in:
Emily Boudreaux
2025-11-10 10:40:03 -05:00
parent 534a44448b
commit a7a4a30028
57 changed files with 1878 additions and 2823 deletions
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10
src/lib/solver/strategies/triggers/engine_partitioning_trigger.cpp
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@@ -344,11 +344,11 @@ namespace gridfire::trigger::solver::CVODE {
}
float ConvergenceFailureTrigger::current_mean() const {
float acc = 0;
size_t acc = 0;
for (const auto nlcfails: m_window) {
acc += nlcfails;
}
return acc / m_windowSize;
return static_cast<float>(acc) / static_cast<float>(m_windowSize);
}
bool ConvergenceFailureTrigger::abs_failure(
@@ -364,7 +364,7 @@ namespace gridfire::trigger::solver::CVODE {
const gridfire::solver::CVODESolverStrategy::TimestepContext &ctx
) const {
const float mean = current_mean();
if (ctx.currentConvergenceFailures - mean > m_relativeFailureRate * mean) {
if (static_cast<float>(ctx.currentConvergenceFailures) - mean > m_relativeFailureRate * mean) {
return true;
}
return false;
@@ -395,8 +395,8 @@ namespace gridfire::trigger::solver::CVODE {
// Combine the triggers using logical OR
auto orTriggerA = std::make_unique<OrTrigger<ctx_t>>(std::move(simulationTimeTrigger), std::move(offDiagTrigger));
auto orTriggerB = std::make_unique<OrTrigger<ctx_t>>(std::move(orTriggerA), std::move(timestepGrowthTrigger));
auto orTriggerC = std::make_unique<OrTrigger<ctx_t>>(std::move(orTriggerB), std::move(convergenceFailureTrigger));
// auto orTriggerC = std::make_unique<OrTrigger<ctx_t>>(std::move(orTriggerB), std::move(convergenceFailureTrigger));
return orTriggerC;
return convergenceFailureTrigger;
}
}