latest debugging script

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

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 <iostream>
 #include <iomanip>
 #include <linux/limits.h>
@@ -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();