From 02758d5c94e7f2739a3c8a55a22f21bbe8162b97 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Max=20L=C3=BCbke?= <mluebke@uni-potsdam.de>
Date: Fri, 28 Nov 2025 15:08:36 +0100
Subject: [PATCH] feat: add benchmark simulation for barite and update species
 configuration

---
 bench/dolo/dolo_fgcs_3_rt.R | 8 ++++++++
 bench/fgcs/barite_fgcs_4.R  | 6 +++---
 2 files changed, 11 insertions(+), 3 deletions(-)
 create mode 100644 bench/dolo/dolo_fgcs_3_rt.R

diff --git a/bench/dolo/dolo_fgcs_3_rt.R b/bench/dolo/dolo_fgcs_3_rt.R
new file mode 100644
index 000000000..c8ddd4c56
--- /dev/null
+++ b/bench/dolo/dolo_fgcs_3_rt.R
@@ -0,0 +1,8 @@
+iterations <- 15000
+dt <- 200
+
+list(
+    timesteps = rep(dt, iterations),
+    store_result = TRUE,
+    out_save = c(1,20,50, seq(100,1000, by=100), seq(2000, iterations, by=1000))
+)
diff --git a/bench/fgcs/barite_fgcs_4.R b/bench/fgcs/barite_fgcs_4.R
index 43902779e..b664ce0dc 100644
--- a/bench/fgcs/barite_fgcs_4.R
+++ b/bench/fgcs/barite_fgcs_4.R
@@ -88,12 +88,12 @@ dht_species <- c(
 )
 
 pht_species <- c(
-  "Ba"        = 4,
+  "Ba"        = 3,
   "Cl"        = 3,
   "S"         = 3,
   "Sr"        = 3,
-  "Barite"    = 2,
-  "Celestite" = 2
+  "Barite"    = 1,
+  "Celestite" = 1
 )
 
 chemistry_setup <- list(