From 3a83ca1346611533d39d72ab16d283849a16fb59 Mon Sep 17 00:00:00 2001 From: Marco De Lucia Date: Wed, 3 Dec 2025 16:59:34 +0100 Subject: [PATCH] added tiny Cl and Ba concentrations to init in barite.pqi --- bench/barite/barite.pqi | 7 +++++-- bench/barite/barite_200_rt.R | 3 ++- 2 files changed, 7 insertions(+), 3 deletions(-) diff --git a/bench/barite/barite.pqi b/bench/barite/barite.pqi index 1fdc05e50..269ffe332 100644 --- a/bench/barite/barite.pqi +++ b/bench/barite/barite.pqi @@ -1,8 +1,11 @@ + SOLUTION 1 units mol/kgw water 1 temperature 25 pH 7 + Ba 1E-12 + Cl 1E-12 PURE 1 Celestite 0.0 1 END @@ -28,5 +31,5 @@ SOLUTION 3 water 1 temperature 25 Ba 0.1 - Cl 0.2 -END \ No newline at end of file + Cl 0.2 charge +END diff --git a/bench/barite/barite_200_rt.R b/bench/barite/barite_200_rt.R index 2b4a2836d..515b2f048 100644 --- a/bench/barite/barite_200_rt.R +++ b/bench/barite/barite_200_rt.R @@ -3,5 +3,6 @@ dt <- 100 list( timesteps = rep(dt, iterations), + out_save = c(1, seq(5, iterations, by = 5)), store_result = TRUE -) \ No newline at end of file +)