From e545d123c234efcf2f4339c020bb907947b66b1a Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Fri, 20 Feb 2015 00:11:12 +0000 Subject: [PATCH] [Kinetics] Relax tolerance on reaction element balance This allows use of some mechanisms with imprecise fractional product stoichiometries. --- src/kinetics/Kinetics.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/kinetics/Kinetics.cpp b/src/kinetics/Kinetics.cpp index 96a68b429..fbc19efd0 100644 --- a/src/kinetics/Kinetics.cpp +++ b/src/kinetics/Kinetics.cpp @@ -329,7 +329,7 @@ void Kinetics::checkReactionBalance(const Reaction& R) const string& elem = iter->first; double elemsum = balr[elem] + balp[elem]; double elemdiff = fabs(balp[elem] - balr[elem]); - if (elemsum > 0.0 && elemdiff/elemsum > 1e-5) { + if (elemsum > 0.0 && elemdiff/elemsum > 1e-4) { ok = false; msg += " " + elem + " " + fp2str(balr[elem]) + " " + fp2str(balp[elem]) + "\n";