diff --git a/R_lib/kin_r_library.R b/R_lib/kin_r_library.R index 273fe6c4f..1e7f803ed 100644 --- a/R_lib/kin_r_library.R +++ b/R_lib/kin_r_library.R @@ -282,9 +282,19 @@ StoreSetup <- function(setup) { to_store$DHT <- FALSE } - to_store$Cmdline <- commandArgs(trailingOnly=FALSE) - saveRDS(to_store, file = paste0(fileout, "/setup.rds")) - msgm("initialization stored in ", paste0(fileout, "/setup.rds")) + if (dht_enabled) { + to_store$DHT <- list( + enabled = dht_enabled, + log = dht_log + #signif = dht_final_signif, + #proptype = dht_final_proptype + ) + } else { + to_store$DHT <- FALSE + } + + saveRDS(to_store, file = paste0(fileout, "/setup.rds")) + msgm("initialization stored in ", paste0(fileout, "/setup.rds")) } GetWorkPackageSizesVector <- function(n_packages, package_size, len) { diff --git a/src/Chemistry/ChemistryModule.hpp b/src/Chemistry/ChemistryModule.hpp index a17069d53..d343ffa31 100644 --- a/src/Chemistry/ChemistryModule.hpp +++ b/src/Chemistry/ChemistryModule.hpp @@ -1,4 +1,3 @@ -// Time-stamp: "Last modified 2023-08-15 14:36:28 mluebke" #ifndef CHEMISTRYMODULE_H_ #define CHEMISTRYMODULE_H_ @@ -249,7 +248,6 @@ protected: CHEM_INIT_SPECIES, CHEM_DHT_ENABLE, CHEM_DHT_SIGNIF_VEC, - CHEM_DHT_PROP_TYPE_VEC, CHEM_DHT_SNAPS, CHEM_DHT_READ_FILE, CHEM_IP_ENABLE, diff --git a/src/Chemistry/WorkerFunctions.cpp b/src/Chemistry/WorkerFunctions.cpp index faa99834b..4e67e33d5 100644 --- a/src/Chemistry/WorkerFunctions.cpp +++ b/src/Chemistry/WorkerFunctions.cpp @@ -1,5 +1,3 @@ -// Time-stamp: "Last modified 2023-08-16 14:50:04 mluebke" - #include "ChemistryModule.hpp" #include "SurrogateModels/DHT_Wrapper.hpp" #include "SurrogateModels/Interpolation.hpp"