245 Commits

Author SHA1 Message Date
David L Parkhurst
ad3e78e2f5 Added Basic functions GFW and SOLN_VOL.
Added test case gfw in mytest and added to Makefile

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6796 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-07-18 19:15:04 +00:00
David L Parkhurst
8823f0ff2f Added STATIC_VOPTS to make vopts static, not static unless defined.
Guy had problems with static variables with OpenMP.

Also removed other static variables fpunchf_user s_warning and buffer, spread length, utilities spinner. Put in Phreeqc.h.

Removed static fnbuf from Pbasic.cpp, put in Pbasic.h.

I think only static variables are in Keywords.h and are necessary for initialization.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6770 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-07-11 16:23:02 +00:00
David L Parkhurst
01495bfb4b changes reqd for merge version
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6764 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-07-11 00:24:26 +00:00
David L Parkhurst
fc2d4425fb Added SOLUTION_MIX m-n keyword that mixes solutions without doing a full reaction calculation.
Results of mix are stored as SOLUTION m-n.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6665 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-06-13 23:15:49 +00:00
Scott R Charlton
5c55175307 MMS friend added
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6640 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-06-07 00:21:16 +00:00
David L Parkhurst
50907986be Updated tally table to include Alkalinity and secondary master species (solutions only).
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6608 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-05-31 15:54:28 +00:00
Scott R Charlton
d369d0f7fd added __cplusplus_cli defines for methods that require CLR for faster linkage with USER_GRAPH editing in phreeqci
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6589 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-05-24 22:03:41 +00:00
David L Parkhurst
f1e2ecdda2 Tony's changes 20120423.
Changed to supcrit for phreeqc.dat and pitzer.dat.

Updated test cases. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6528 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-04-24 18:17:47 +00:00
Scott R Charlton
74c97b0e76 removed dependencies Phreeqc.h and Parser.h from Utils.h
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6517 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-04-20 03:59:14 +00:00
David L Parkhurst
8e0844ed26 Fixed memory all memory leaks from mytest.
Modified ss_r to run on Windows.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6475 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-04-13 17:08:59 +00:00
Scott R Charlton
495a220070 merged in http://internalbrr.cr.usgs.gov/svn_GW/phreeqcpp/branches/ErrorHandling 6269-6445
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6446 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-04-11 02:21:16 +00:00
Scott R Charlton
e972c511f0 trying to recover Phreeqc.h w/ history
this should have been -r 6391

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6445 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-04-11 01:49:12 +00:00
Scott R Charlton
969e5df5f6 trying to recover Phreeqc.h w/ history
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6444 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-04-11 01:43:06 +00:00
Scott R Charlton
6167acc9cb sped up pitz_param/sit_param reading;
added memory debug code for string_duplicate

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6391 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-04-10 04:06:49 +00:00
Scott R Charlton
69711a425a made iso_defaults public and static
This is really just 6324 without deleting Phreeqc.h and keeping the history. In order
to keep the history you need to do a reverse merge.

see http://stackoverflow.com/questions/2863028/recover-a-folder-or-file-in-tortoisesvn-whilst-also-retaining-all-history

answer attached:

Do a "reverse merge":
 1.Ensure that your working copy is updated to HEAD and completely clean (not strictly necessary, but always a good idea before trying to merge)
 2.Right click on the folder and select TortoiseSVN > Merge...
 3.Select "Merge a range of revisions" and hit "Next"
 4.The URL to merge from is the repo path for your current directory (ie. the one containing the deleted file)
 5.The revision range to merge is the revision in which you deleted the file (show log might help here)
 6.Be sure to select "Reverse merge"
 7.Hit "Next"
 8.All the default merge options should be sufficient, so hit "Merge"
 
The file should now be added and still retain all of its previous history.

Explanation:

This "rolls back" the revision containing the deletion, but adds the merge information to the directory properties. SVN can track the original file through this metadata. On the command line you would to do a backwards merge of the revision in which you deleted it:
svn merge -c -<revision-number> path/containing/file

Note the hyphen before the rev number (ie. a "negative" revision nunber).
 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6328 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-03-30 22:36:01 +00:00
Scott R Charlton
96294247ac trying to fix loss of history with Phreeqc.h
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6327 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-03-30 22:24:25 +00:00
Scott R Charlton
c98ac9ac53 trying to fix loss of history with Phreeqc.h
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6326 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-03-30 22:14:49 +00:00
Scott R Charlton
c8c82a9942 resurrected Phreeqc.h; Don't know how it was deleted
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6325 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-03-30 22:04:19 +00:00
Scott R Charlton
3df08dd0f1 made iso_defaults public and static
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6324 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-03-30 21:49:57 +00:00
David L Parkhurst
91f650a5e9 Merged ErrorHandling 6119-6268 changes.
All reactant structs have been removed.
Tony's pressure uses mu in pressure term of log_k.
Test cases run, discriminant check at 1e-8.

Still want to optimize out some k_temp calls and checks for same T, P, mu.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6269 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-03-06 23:42:49 +00:00
David L Parkhurst
dd06c2eaf2 Runs most kinetics, kinsurf is a problem.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6084 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-20 00:56:16 +00:00
David L Parkhurst
18906cdd2f Removed skipped code.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6081 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-18 17:23:36 +00:00
David L Parkhurst
d051a77711 compiles and runs solid_solution test case.
Need to compile on Linux and run all test cases.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6070 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-17 20:39:32 +00:00
David L Parkhurst
568a2ab70a classified struct use
finished rename of s_s_assemblage and SSassemblageSS

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6032 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-11 16:15:48 +00:00
David L Parkhurst
4f0fb6c928 Finished ss_assemblage rename.
Added Use class

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6020 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-10 20:11:15 +00:00
David L Parkhurst
cbd736da15 Renaming SSassemblageSS to SS and cxxSS
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6019 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-10 19:14:07 +00:00
David L Parkhurst
f085546091 Renaming SSassemblageSS
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6018 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-10 19:10:05 +00:00
David L Parkhurst
619e7824a6 Tony's 1/10/12 changes
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6017 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-10 17:07:49 +00:00
David L Parkhurst
4863913297 pp_assemblage is mostly working. Need final checking
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5996 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-09 16:38:58 +00:00
David L Parkhurst
67eb827107 Tony's updates relative to 5941.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5986 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-05 21:56:25 +00:00
David L Parkhurst
90934690e3 started removing SKIP
fixed exch_kin_related bug, by commenting exchange code in quick_setup (prep). Will have to test if this works.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5977 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-04 22:50:46 +00:00
David L Parkhurst
acf62c7881 gas_phase and irrev removed.
get_line moved to PHRQ_io.

Still debugging some.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5967 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-04 16:07:40 +00:00
David L Parkhurst
b52ab4dfea Exchange changes have been made, but need to debug.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5960 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-29 15:39:50 +00:00
David L Parkhurst
02839d601d Removed struct mix.
Left old code commented.

Will remove old code next svn revision.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5948 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-27 18:41:46 +00:00
David L Parkhurst
b5c652e254 Removed struct temperature.
Uses only cxxTemperature.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5942 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-22 23:13:07 +00:00
David L Parkhurst
a05de5e5d0 Removed old hash for strings and replaced with
standard map.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5941 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-22 00:02:20 +00:00
David L Parkhurst
a8ad82586f hsave_string returns const char *.
all other changes follow from this.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5940 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-21 23:18:58 +00:00
David L Parkhurst
e0ef4941f8 changed error_string to const char *.
works with sformatf to allow indefinite length strings.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5936 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-21 18:07:01 +00:00
David L Parkhurst
70eb5e2721 Revisions from Tony.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5933 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-21 15:42:50 +00:00
David L Parkhurst
84644301c8 added force_numerical_jacobian
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5927 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-20 23:06:43 +00:00
David L Parkhurst
9fa2b74b6c Removed gas_pressure unknown.
Removed REVISED_GASES.

numerical_fixed_volume is switch; can be read in knobs.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5921 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-20 21:34:06 +00:00
David L Parkhurst
f75189872d Modified to run all fixed volume calculations through REVISED_GASES code.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5920 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-20 18:34:17 +00:00
David L Parkhurst
8107f787b7 have old activity of water and
correct tanh version of activity of water.

switch is dampen_ah2o.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5919 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-20 16:04:49 +00:00
David L Parkhurst
267b593431 Incorporated Tony's changes for -vm
Fixed bug with stdtoken.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5908 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-19 19:53:17 +00:00
David L Parkhurst
fe15de3437 Fixed long heading problem from Kinniburgh
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5906 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-19 17:00:27 +00:00
David L Parkhurst
36bf6b7fa1 Compiles with and without REVISED_GASES.
There is a bug, CO2_conc_PR_GP runs, but gives wrong answer.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5893 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-13 22:03:24 +00:00
David L Parkhurst
1715e7b4bb Numerical derivatives with REVISED_GASES works with the P_Vm test case.
Have to merge Tony's changes, and make it work without having to use -numerical_jacobian.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5891 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-13 19:47:47 +00:00
David L Parkhurst
877f19e62a define bool slack to allow a slack variable in array (default false).
dampen for activity of water is true by default.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5884 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-12 21:59:38 +00:00
David L Parkhurst
88dc8b9633 Changed activity of water equation to use tanh to allow activity of water to approach zero smoothly.
Added a slack variable to equations, will see if it affects convergences.

Had changed the mu equation to be limited at 50, but commented this out.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5879 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-12 17:23:43 +00:00
Scott R Charlton
a4c8e993d3 moved istreams from Phreeqc class to PHRQ_io class
changed modes std::ifstream:: to std::ios_base::
deleted some #ifdef SKIP


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5872 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-08 06:16:03 +00:00