PhreeqcUsers Discussion Forum

USER_PUNCH/USER_GRAPH => SELECTED_OUTPUT => Topic started by: Leo on May 28, 2021, 11:31:42 AM

Title: bug report/WARNING: Did not find master species, C(+4)
Post by: Leo on May 28, 2021, 11:31:42 AM
David,

when writing totals to the selected output file, PHREEQC won't recognize C(+4) although the master species is defined in the database. However, C(4) works fine. I found that the same problem has supposedly been fixed recently

Code: [Select]
Version 3.7.0: April 27, 2021
------------------------------------------------------------
        --------
        svn 5570
        --------
        In SELECTED_OUTPUT; -totals, a redox state defined
        with a "+" sign, such as Fe(+3), was not recognized
        ("Fe(3)" worked correctly). Now Fe(+3) is
        synonymous with Fe(3).

With the current version I'm using (PHREEQC Interactive, Version 3.7.0.15749), the problem is still occuring. I attached a minimal example (run with wateq4f.dat) to make clear what is happening. I don't see a problem in just using C(4) to get the desired output, however, we are using some older PHREEQC input files, in which this leads to missing output if they are run with the current PHREEQC version. Version 3.3.8 doesn't seem to reproduce the problem.

Thanks,
Leo
Title: Re: bug report/WARNING: Did not find master species, C(+4)
Post by: dlparkhurst on May 28, 2021, 04:17:56 PM
Okay, I'll fix it.