From 1b88024120e61c5838132c6e2207dac5e47b3484 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Tue, 6 Jul 2021 11:37:45 -0400
Subject: [PATCH] Align the eigenvectors to match the direction of the minimum
concentration
---
include/teqp/algorithms/critical_tracing.hpp | 7 +++++++
1 file changed, 7 insertions(+)
diff --git a/include/teqp/algorithms/critical_tracing.hpp b/include/teqp/algorithms/critical_tracing.hpp
index 9998192..0b964ef 100644
--- a/include/teqp/algorithms/critical_tracing.hpp
+++ b/include/teqp/algorithms/critical_tracing.hpp
@@ -95,6 +95,13 @@ struct CriticalTracing {
else {
throw std::invalid_argument("More than one non-zero concentration value found; not currently supported");
}
+ // Align with the eigenvector of the component with the smallest density, and make that one positive
+ Eigen::Index ind;
+ rhovec.minCoeff(&ind);
+ if (ed.eigenvectorscols.col(ind).minCoeff() < 0) {
+ ed.eigenvectorscols *= -1.0;
+ }
+
ed.v0 = ed.eigenvectorscols.col(0);
ed.v1 = ed.eigenvectorscols.col(1);
return ed;
--
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