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52 Commits

Author SHA1 Message Date
David L Parkhurst
9bf1411f42 Updated to PHREEQC3 12386 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12387 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-09 16:41:47 +00:00
David L Parkhurst
d5e7aa0ab3 Tony's changes. 
Call calc_delta_v always.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10930 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-03-09 19:59:35 +00:00
David L Parkhurst
626d678296 Added setdiff_c method. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10891 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-03-04 16:38:33 +00:00
David L Parkhurst
174c739d26 Updated concrete source from concrete_parallel source (not using parallel). 
Now going to run test cases on Linux.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10719 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-20 18:12:15 +00:00
David L Parkhurst
301d2d009c transport.cpp, ifdefd old viscosity, initialized variables; basicsubs call viscosity();phreeqc, revert ineq_tol 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10569 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-12-14 20:35:26 +00:00
David L Parkhurst
fb18be24e2 Tony's implementation of electric current. 
Test case current1.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10550 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-12-08 16:54:38 +00:00
Scott R Charlton
6e752e26c4 windows java working with callback 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10300 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-09-24 06:10:03 +00:00
Scott R Charlton
fbaeb7dcbd working on swig callback 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10293 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-09-23 04:24:40 +00:00
David L Parkhurst
e7915af7ac Test case edl_species tests the function. 
Works, but maybe questions on thickness for Debye length calculation.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9916 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-06-30 18:01:55 +00:00
David L Parkhurst
49ba8bca71 Working on edl for PHREEQCRM 
Adding edl_species for PHREEQC.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9915 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-06-30 17:06:53 +00:00
Scott R Charlton
3e1e2bae17 created IPHREEQC_ENABLE_MODULE option 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9638 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-12 04:48:46 +00:00
David L Parkhurst
ca572ee976 Revised Basic function surf. I broke some functionality when I modified to 
get correct values for H and O. Reverted, but check for H and O, which uses 
another method (surf_total_no_redox).

Modified As to do more checking, including Hfo_w, Hfo_s, and H.

Update As.out.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9633 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-10 19:40:10 +00:00
David L Parkhurst
18f0512be6 len=l for callback fortran string. 
Made basic callback string a "const" in 8 places.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9463 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-04-02 22:59:33 +00:00
David L Parkhurst
b255de1643 length argument needed for callback. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9435 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-30 18:38:56 +00:00
David L Parkhurst
9ca2302555 worked on pressure dependence in lk_phase 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9434 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-30 16:32:34 +00:00
David L Parkhurst
ab440058fb Working on IPhreeqc Basic callback. Compiles with ISO_C_BINDING, but may need some more debugging. 
Need to merge this change with PhreeqcRM-trunk.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9424 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-27 22:03:36 +00:00
David L Parkhurst
ffd459c6db Added SYS("equi", count, name$, type$, moles). 
Equi option was never implemented.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9388 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-24 19:41:09 +00:00
David L Parkhurst
6309425ae9 First try at constant capacitance model. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9331 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-05 18:12:53 +00:00
David L Parkhurst
cfa5f98e1f Fixed bug in SURF(O/H,surf). H and O not counted correctly. Went back to old method before it was changed to account for redox master species (Fe(2)), for example. H(0) H(+1), O(-2) and O(0) probably do not work correctly, but I think everything else will. 
Added test case surf_total.out

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9309 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-02-25 00:36:03 +00:00
David L Parkhurst
8e104d5463 Roughed in surface area calculation by DeClercq (sa_declercq for now). 
Fixed bug where H+ was missing from list of aqueous species generated by SYS.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9230 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-02-03 15:58:09 +00:00
David L Parkhurst
3ad52ff744 Fixed bug, H+ was missing from SYS("AQ", ... 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9073 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-11-19 16:04:06 +00:00
David L Parkhurst
8262d5f224 Added diff_c function to basic. 
Added test case diff_c to mytest.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9072 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-11-18 18:29:27 +00:00
Scott R Charlton
a28ca9a300 changed all fortran string length parameters to be size_t 
simplified fortran wrappers for windows


git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9015 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-10-29 01:59:37 +00:00
David L Parkhurst
98741bbe32 finalizing compute_gfw 
using map for rates

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8888 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-07-29 20:39:38 +00:00
David L Parkhurst
685a4d45b3 Optimizing compute_gfw 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8885 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-07-29 19:19:14 +00:00
David L Parkhurst
76bd0c2908 Fixes for dumped no_edl SURFACE. 
and EDL("charge", "xx") for no_edl SURFACE.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8875 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-07-24 23:30:00 +00:00
David L Parkhurst
6a75a7f38b Changed calc_logk_s to use original equation. 
Checking for 0 gfws

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8755 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-05-20 20:12:05 +00:00
David L Parkhurst
caf7554690 Added solution number method. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8754 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-05-20 20:07:04 +00:00
David L Parkhurst
38bfd3328b Modification to use REACTION_PRESSURE for a 
fixed-pressure gas phase.

Fixed Basic function GAS_VM for a fixed-pressure gas phase.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8532 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-28 15:33:20 +00:00
David L Parkhurst
9048a9be86 Bugs fixes noted by Marco De-Vroed 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8371 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-14 20:42:12 +00:00
David L Parkhurst
4ec2784a6b Tony's fix to solution volume. 
Added test case, updated Makefile
Added comment to Release.txt

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8356 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-07 16:11:24 +00:00
David L Parkhurst
c80ebbc630 added soln_vol to cxxSolution. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8171 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-05 16:26:46 +00:00
David L Parkhurst
b3d02ae5a7 Added river turning into drain in IPhreeqc version of PHAST 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8034 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-13 21:18:23 +00:00
David L Parkhurst
30164dc7fd functions are fcn 
Added cookie to c callback.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7895 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-08 19:53:31 +00:00
David L Parkhurst
88742cdb36 Fixed post-build in project 
Phreeqc.h was jacked up??? The has_infinite block did not end until the end of the file.

Made the arguments for the C callback double, double, const char *.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7888 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-07 17:01:30 +00:00
David L Parkhurst
305cd8631d Revised name to BasicFortran 
Added methods for C call SetBasicCallback.

Need to check C side and documentation.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7884 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-05 20:53:54 +00:00
David L Parkhurst
346cf2239b Added a Fortran callback. 
Will try to revise so that the same callback works for Fortran and C.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7883 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-05 18:56:31 +00:00
David L Parkhurst
6b8ccd828c latest tests 7837; some Linux warnings in src 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7838 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-07-17 21:52:44 +00:00
David L Parkhurst
a03d2ae87e Added f = EQ_FRAC("AlX3", eq, x$) 
Also added synonyms PHASE_FORMULA$ and SPECIES_FORMULA$.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7829 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-07-16 19:25:14 +00:00
David L Parkhurst
4b643b866b Finishing touches on species_formula. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7828 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-07-16 17:10:07 +00:00
David L Parkhurst
ff764f3fe5 Added species_formula("CaOH+", count, elt$, coef) 
returns
Ca 1
O  1
H  1
charge 1 
in elt$ and coef.
count is 4.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7827 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-07-16 16:37:19 +00:00
David L Parkhurst
102ce31980 Revised manual: Figure 8 had part B twice and was missing part A. 
Fixed in Version 3 in previous check in.
Fixed in doc.
Fixed in HTMLversion examples.fm, and reset cross refs so all .fm files changed.
Replaced phreeqc3-232.gif with revised figure.

Fixed system_total_si to return max SI, returned zero if max SI was less than zero.
Added Basic function tokstr_e$ to format a number in exponential form.
log10 not checked for positive argument, probably will print NaN if result is printed.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7782 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-07-01 19:04:05 +00:00
David L Parkhurst
11ef24eb4b replaced Find with pp_assemblage_comp_ptr stored in struct unknown 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7723 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-05-16 17:58:27 +00:00
David L Parkhurst
c176fe3b2e Cleaning up code. 
Removed PHREEQC2 ifdef.

Some SKIP.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7717 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-05-14 20:15:31 +00:00
David L Parkhurst
e60d708c84 Some of Tony's changes that I missed. 
Removed some but not all '

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7652 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-04-26 14:26:24 +00:00
David L Parkhurst
1342a5c580 Alternate method for sum_species 
fixed memory leak when copying phreeqc instance with llnl.dat

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7473 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-02-19 19:40:11 +00:00
David L Parkhurst
27e3f75c4e Optimized sum_species. 
Keeps lists of species in a map <std::string, std::vector<std::string> > sum_species_map.

resets map whenever s_x changes (tidy and prep)

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7470 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-02-15 18:06:29 +00:00
David L Parkhurst
67c08b44d0 Fixed activity and gamma Basic functions to include EX and SURF 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7360 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-01-23 15:13:50 +00:00
Scott R Charlton
709e117619 modified source files for rearranged directories 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/reorg@7310 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-01-11 01:05:51 +00:00
Scott R Charlton
564a0f8af5 moved phreeqc files into src 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/reorg@7308 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-01-10 06:04:12 +00:00