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 weight_matrices; std::vector biases; - - // The other model will be used for the non-reactive cluster - // (if clustering is enabled) - std::vector weight_matrices_no_reaction; - std::vector biases_no_reaction; }; struct TrainingData {