diff --git a/poet/test/run_kin_cor_end2.pqi b/poet/test/run_kin_cor_end2.pqi index 6c595891..483bef56 100644 --- a/poet/test/run_kin_cor_end2.pqi +++ b/poet/test/run_kin_cor_end2.pqi @@ -1,25 +1,12 @@ -SOLUTION 1 - units mol/kgw - pH 6.653 - pe -3.167 - water 1 - temp 17 - Na 1e-15 - Cl 1e-15 charge - Ca 1e-15 - C 1e-15 - Fe 4.386e-9 - S 8.772e-9 - Al 5.031e-7 - Si 5.031e-7 - +SOLUTION 1 +units mol/kgw +temp 35 +pH 7 +pe 4 +Cl 0.003 charge +Na 0.003 PURE 1 -Pyrite 0.0 2.5e-4 - -KINETICS 1 -Kaolinite - -m 1.5e-4 - -parms 0.6 100000 +Calcite 0.0 10 SOLUTION 2 units mol/kgw @@ -84,15 +71,40 @@ S 1e-15 Al 1e-15 Si 1e-15 -SOLUTION 5 + +SOLUTION 5 + units mol/kgw + pH 6.653 + pe -3.167 + water 1 + temp 17 + Na 1e-15 + Cl 1e-15 charge + Ca 1e-15 + C 1e-15 + Fe 4.386e-9 + S 8.772e-9 + Al 5.031e-7 + Si 5.031e-7 + +PURE 5 +Pyrite 0.0 2.5e-4 + +KINETICS 5 +Kaolinite + -m 1.5e-4 + -parms 0.6 100000 + +SOLUTION 6 units mol/kgw temp 35 pH 7 pe 4 Cl 0.003 charge Na 0.003 -C(4) 2.333e-3 +PURE 6 +Calcite 0.0 10 RUN_CELLS - -cells 1 2 3 4 5 + -cells 1 2 3 4 5 6 END diff --git a/poet/test/testGolemRunner.cpp b/poet/test/testGolemRunner.cpp index b8a2c0d9..103e1a58 100644 --- a/poet/test/testGolemRunner.cpp +++ b/poet/test/testGolemRunner.cpp @@ -1,4 +1,4 @@ -// Time-stamp: "Last modified 2025-07-28 12:23:47 delucia" +// Time-stamp: "Last modified 2025-07-28 13:03:01 delucia" #include #include #include @@ -60,7 +60,7 @@ int main(int argc, char *argv[]) { auto db = readFile(argv[2]); // Create the matrix directly from database and init script - PhreeqcMatrix pqc_mat(db, script); + PhreeqcMatrix pqc_mat(db, script, true, true); // How many different SOLUTIONS ("CELLS") are defined in the script? const auto ids = pqc_mat.getIds();