From 8adeffa315125179a3454cd10b42ac972ebd25ff Mon Sep 17 00:00:00 2001
From: straile <straile@hpc-login.hpc.cs.uni-potsdam.de>
Date: Fri, 8 Nov 2024 12:53:59 +0100
Subject: [PATCH] refactor: remove obsolete elements from EigenModel struct

---
 src/Chemistry/SurrogateModels/AI_functions.hpp | 9 ++-------
 1 file changed, 2 insertions(+), 7 deletions(-)

diff --git a/src/Chemistry/SurrogateModels/AI_functions.hpp b/src/Chemistry/SurrogateModels/AI_functions.hpp
index bd059dfda..cb6b5432a 100644
--- a/src/Chemistry/SurrogateModels/AI_functions.hpp
+++ b/src/Chemistry/SurrogateModels/AI_functions.hpp
@@ -31,15 +31,10 @@
 namespace poet {
 
 struct EigenModel {
-  // The first model will be used for all values if clustering is disabled
-  // or for the reactive part of the field if clustering is enabled
+  // Custom struct for the Keras weight matrices and
+  // bias vectors
   std::vector<Eigen::MatrixXd> weight_matrices;
   std::vector<Eigen::VectorXd> biases;
-
-  // The other model will be used for the non-reactive cluster
-  // (if clustering is enabled)
-  std::vector<Eigen::MatrixXd> weight_matrices_no_reaction;
-  std::vector<Eigen::VectorXd> biases_no_reaction;
 };
 
 struct TrainingData {