From 465a6595b01afd5cf5d9417744488ea69c1747a8 Mon Sep 17 00:00:00 2001
From: Max Luebke <mluebke@gfz-potsdam.de>
Date: Wed, 3 Apr 2024 10:43:14 +0000
Subject: [PATCH] Update runtime and test scripts

---
 bench/barite/het/barite_het.pqi | 1 +
 bench/barite/het/runtime.R      | 2 +-
 bench/barite/het/test.R         | 5 +++--
 3 files changed, 5 insertions(+), 3 deletions(-)

diff --git a/bench/barite/het/barite_het.pqi b/bench/barite/het/barite_het.pqi
index b13bcd1c0..b8cf1e101 100644
--- a/bench/barite/het/barite_het.pqi
+++ b/bench/barite/het/barite_het.pqi
@@ -60,6 +60,7 @@ END
 
 ## A BaCl2 solution (nr 4) is "injected" from the left boundary:
 SOLUTION 4
+units	mol/kgw
 pH 7
 water 1
 temp 25
diff --git a/bench/barite/het/runtime.R b/bench/barite/het/runtime.R
index 4dea41fdf..a0b63df67 100644
--- a/bench/barite/het/runtime.R
+++ b/bench/barite/het/runtime.R
@@ -1,4 +1,4 @@
 list(
-    timesteps = c(1),
+    timesteps = rep(50, 100),
     store_result = TRUE
 )
\ No newline at end of file
diff --git a/bench/barite/het/test.R b/bench/barite/het/test.R
index f7269e3f7..63807144e 100644
--- a/bench/barite/het/test.R
+++ b/bench/barite/het/test.R
@@ -11,7 +11,7 @@ grid_setup <- list(
 
 diffusion_setup <- list(
     boundaries = list(
-        "E" = list(
+        "W" = list(
             "type" = rep("constant", nrow(grid_def)),
             "sol_id" = rep(4, nrow(grid_def)),
             "cell" = seq_len(nrow(grid_def))
@@ -27,5 +27,6 @@ diffusion_setup <- list(
 # Define a setup list for simulation configuration
 setup <- list(
     Grid = grid_setup, # Parameters related to the grid structure
-    Diffusion = diffusion_setup # Parameters related to the diffusion process
+    Diffusion = diffusion_setup, # Parameters related to the diffusion process
+    Chemistry = list()
 )