Combining data into composite SELECTED_OUTPUT file

[HFlower]

Hi all- thanks in advance to anyone who reads and considers this.

To explain what I'm trying to do, please consider Manual Example 8 (surface complexation): two solutions are defined having different Zn concentrations, and each is taken through surface complexation, through a range of pH, with two separate subsequent selected output files. Could a single selected-output file be created that includes both sets of output? 

Similarly, Manual Example 3 (Mixing) sets up a variety of solutions/conditions A-E, and it seems the relevant output data (pH, saturation indices, mole transfers) are manually picked out from the phreeqc output file so as to be included in Table 16. Would it be possible to create a single SELECTED_OUTPUT file that contained the same full set of results found in Table 16?

[dlparkhurst]

Example 8 demonstrates how to use USER_PUNCH to write files that are subsequently included with $INCLUDE and run as part of the calculations. This capability is probably not used very often, but it may be useful if you want to run many repetitive simulations. However, if you look at the results of running example 8, there is a single selected output file, ex8.sel, that contains the results for all of the calculations, including all the results for each of the two zinc concentrations at the series of pH values.

For example 3, if you include this definition at the beginning of the file, you will generate a file that has all of the results of table 16.

SELECTED_OUTPUT 1
    -file                 selected_output_1.sel
    -reset                false
    -simulation           true
    -state                true
    -pH                   true
    -equilibrium_phases   CO2(g)  Calcite  Dolomite
    -saturation_indices   CO2(g)  Calcite  Dolomite

To get output from USER_PUNCH n, it is necessary to define SELECTED_OUTPUT n.

In general, a SELECTED_OUTPUT n with or without USER_PUNCH n, will remain in effect until the end of the input file. There are several ways that this default behavior can be changed. (1) All selected output files may be suspended and restarted with PRINT; -selected_output f/t.  (2) An individual selected output file can be turned off and on by defining SELECTED_OUTPUT; -active f/t (without any further definitions). And (3) SELECTED_OUTPUT n can be redefined with different output and output file (using the same file  name will overwrite the previous file).

[HFlower]

Thank you so much Mr. Parkhurst, it worked like a charm.