From 2ebff76e9e99874847f03e565b8dea62d8193fb1 Mon Sep 17 00:00:00 2001 From: Hannes Martin Signer Date: Thu, 11 Dec 2025 15:58:01 +0100 Subject: [PATCH] add pqc_with_redox flag to match experiments with ai surrogate --- bench/dolo/dolo_interp.R | 1 + 1 file changed, 1 insertion(+) diff --git a/bench/dolo/dolo_interp.R b/bench/dolo/dolo_interp.R index 703269865..32ddb33aa 100644 --- a/bench/dolo/dolo_interp.R +++ b/bench/dolo/dolo_interp.R @@ -7,6 +7,7 @@ grid_def <- matrix(2, nrow = rows, ncol = cols) grid_setup <- list( pqc_in_file = "./dol.pqi", pqc_db_file = "./phreeqc_kin.dat", + pqc_with_redox = TRUE, grid_def = grid_def, grid_size = c(5, 2.5), constant_cells = c()