Merge remote-tracking branch 'origin/main' into v0.x

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) {

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,

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"