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add pqc_with_redox flag to match experiments with ai surrogate

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Hannes Martin Signer 2025-12-11 15:58:01 +01:00
parent b49065dbc0
commit 2ebff76e9e
1 changed files with 1 additions and 0 deletions
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bench/dolo/dolo_interp.R
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@ -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()