We change the input concentrations so that they exactly fits the ogs-PhreeqC input concentrations.
The way of writing the reactions and the corresponding K values are also changed. The K values are according to the Nagra-PSI database.
We tune all the input files to be the same as the benchmark case.
1) every 10 steps one output.
2) 210 steps with dt = 100 sec.
3) reactions written in a way that basis on the left, secondary on the right.
relax the relative tolerance from 1e-16 to 1e-12.
Several changes to make the calcite_ops example run.
1) The mineral index selection process has been moved into the update_minerals() function
2) According how we write the reactions, the transformation btw. basis and secondary components are changed.
3) For the same reason, the total concentration calculation are also changed.
Now the calcite_ops example is running properly.