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Re: Basic arrays in PhreeqcI 2.7.1.1




> I eventually tracked down a 'problem' to code

Thanks for the bug report and thanks for making a simple example for me to
debug. I am going to blame the author of the Basic interpreter that I
embedded in PHREEQC. If members of the dimensioned array are used on the
left- and right-hand sides of the "Let" statement, the result is
erroneously put into the member that was used last on the right-hand side,
instead of the member specified on the left-hand side. I have patched this
little section of the Basic interpreter and it will be corrected in the
next release of PHREEQC. Meanwhile, you will have to write around the
problem as you did in the example you sent.

> Incidentally, where is the best free documentation for the Basic
used?

I did a quick look on the net and came up with
http://members.aol.com/heath8080a/ggs/basic.html. However, the interpreter
embedded in PHREEQC does not contain a lot of the functionality listed, but
does contain While and wend. The statements allowed in PHREEQC are included
in table 9 on page 128-129 of the users manual.

> Also the SURF(,) keyword produces a syntax error when Renumbering a
USER_PUNCH section.

I think PhreeqcI is forgetting to rewrite the SURF function when it
renumbers. I'll get Scott to take a look.

> I think you and Scott have done a truly magnificent job with PHREEQC
and now PHREEQCI. Thanks. I am a fully paid-up member of the
Parkhurst-Charlton-Appelo fan club.

Thanks, it's nice to hear.

> I hope I wasn't too abrupt in my recent query re Kirk's revised As
thermo data. I have tried to do my best to put the new data into
PHREEQC (and GWB) format but I'm aware that it is easy to get things
wrong especially as I had to rework several of the equations and the
consistency issue rattles down through the data. Basically I trust you
to do it a lot more than I trust myself! The new data significantly
change the speciation in reduced systems. Obviously As is a key
element of interest at the moment and it would be nice to use the best
data as soon as possible.

I've just finished teaching a course and have been pretty well tied up. I
did talk to Kirk about arsenic and I think it is now up to date in the
WATEQ4F database. I do want to include the new data and keep consistent
with WATEQ4F, but I'm not sure when I'll get around to it, but I'll write
to Jim Ball and see if I can get the data in a convenient form (if you have
equations and log K's, I can work from that).

BTW, if I can ever get PHAST completed (3D reaction transport), I am going
to revisit PHREEQC and try to simplify the numerical method so that it is
easier to add new features like metal-organic binding. I will get in touch
if I succeed with the numerical method revisions.

David

David Parkhurst (dlpark@xxxxxxxx)
U.S. Geological Survey
Box 25046, MS 413
Denver Federal Center
Denver, CO 80225

Project web page: https://wwwbrr.cr.usgs.gov/projects/GWC_coupled




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