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

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This commit is contained in:
Max Lübke 2024-03-06 13:36:36 +00:00
commit 1c170d687b
3 changed files with 13 additions and 7 deletions
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16
R_lib/kin_r_library.R
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@ -282,9 +282,19 @@ StoreSetup <- function(setup) {
to_store$DHT <- FALSE to_store$DHT <- FALSE
} }
to_store$Cmdline <- commandArgs(trailingOnly=FALSE) if (dht_enabled) {
saveRDS(to_store, file = paste0(fileout, "/setup.rds")) to_store$DHT <- list(
msgm("initialization stored in ", paste0(fileout, "/setup.rds")) 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) { GetWorkPackageSizesVector <- function(n_packages, package_size, len) {

2
src/Chemistry/ChemistryModule.hpp
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@ -1,4 +1,3 @@
// Time-stamp: "Last modified 2023-08-15 14:36:28 mluebke"
#ifndef CHEMISTRYMODULE_H_ #ifndef CHEMISTRYMODULE_H_
#define CHEMISTRYMODULE_H_ #define CHEMISTRYMODULE_H_
@ -249,7 +248,6 @@ protected:
CHEM_INIT_SPECIES, CHEM_INIT_SPECIES,
CHEM_DHT_ENABLE, CHEM_DHT_ENABLE,
CHEM_DHT_SIGNIF_VEC, CHEM_DHT_SIGNIF_VEC,
CHEM_DHT_PROP_TYPE_VEC,
CHEM_DHT_SNAPS, CHEM_DHT_SNAPS,
CHEM_DHT_READ_FILE, CHEM_DHT_READ_FILE,
CHEM_IP_ENABLE, CHEM_IP_ENABLE,

2
src/Chemistry/WorkerFunctions.cpp
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@ -1,5 +1,3 @@
// Time-stamp: "Last modified 2023-08-16 14:50:04 mluebke"
#include "ChemistryModule.hpp" #include "ChemistryModule.hpp"
#include "SurrogateModels/DHT_Wrapper.hpp" #include "SurrogateModels/DHT_Wrapper.hpp"
#include "SurrogateModels/Interpolation.hpp" #include "SurrogateModels/Interpolation.hpp"