max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-16 08:38:23 +01:00
Code Issues Packages Projects Releases Wiki Activity
164 Commits 6 Branches 4 Tags
Commit Graph

164 Commits

This Branch
This Branch
All Branches
Author SHA1 Message Date
David L Parkhurst
36ff0337e3 ex21 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6652 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-06-07 23:26:38 +00:00
David L Parkhurst
9288a4f528 git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6651 1feff8c3-07ed-0310-ac33-dd36852eb9cd 2012-06-07 23:24:31 +00:00
David L Parkhurst
875c783659 cap A, B, C for sub examples. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6637 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-06-06 23:12:49 +00:00
David L Parkhurst
b7ab869a13 Tony changed the properties of water, I think in utilities.cpp 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6632 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-06-06 00:14:27 +00:00
David L Parkhurst
f06bcb47e5 Minor changes for manual. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6626 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-06-01 22:36:20 +00:00
David L Parkhurst
049b488cf4 minor updates for manual 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6622 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-06-01 18:06:33 +00:00
David L Parkhurst
a48d816c6f Modified for manual 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6620 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-06-01 16:53:56 +00:00
David L Parkhurst
58ab5bce5c tsv updated in code. 
ex2b updated.

through example 2 in examples.fm.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6616 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-05-31 22:44:48 +00:00
David L Parkhurst
dd42258fe4 renamed all data files for charts to .tsv 
changed identifier to -plot_tsv_file in all input files.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6614 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-05-31 20:37:46 +00:00
David L Parkhurst
63b9ba5c47 ex3, ex12 ci 
JohnsonCommentsReply.pdf

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6606 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-05-31 00:26:37 +00:00
Scott R Charlton
b645d6b046 renamed ex19_meas.txt to ex19_meas.csv 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6605 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-05-30 20:58:48 +00:00
David L Parkhurst
f3cc5aacf4 ex2b and ex22 examples, co2.dat for ex22 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6571 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-05-18 17:12:11 +00:00
David L Parkhurst
436985c42a 2012-05-17, latest code, databases. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6570 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-05-18 17:03:03 +00:00
David L Parkhurst
7b5afee35b Modified for new handling of surf related to phase. 
Input files now have charge balanced formula.

Not checking cdmusic surfaces for surface master species as formula or
charge balanced surface master species.

deleted error.inp.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6553 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-05-02 20:04:50 +00:00
David L Parkhurst
9538528c56 run phreeqc3 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6549 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-05-01 19:49:58 +00:00
David L Parkhurst
56c4b8cade Latest examples and mytest 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6548 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-05-01 19:30:57 +00:00
David L Parkhurst
a68adf2525 Latest examples 
header file for Linux PHRQ_io.cpp


git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6546 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-05-01 15:22:41 +00:00
Scott R Charlton
16342e4815 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
David L Parkhurst
0642749631 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
b9e5edbdc7 memory initialization for cvode 
Latest test cases without kinetics struct



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6089 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-01-20 18:45:13 +00:00
David L Parkhurst
46db385b2f Latest test cases after removing solid solution structures. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6080 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-01-18 16:14:53 +00:00
David L Parkhurst
d291777d9d Fixed fp exceptions 
renamed ss_assemblage
Fixed selected-output volume.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6059 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-01-12 21:13:44 +00:00
David L Parkhurst
ec7e25ffa8 Tony change 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6040 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-01-11 21:57:08 +00:00
David L Parkhurst
aa5d869671 Has bug with volume in selected output file. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6031 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-01-11 16:15:18 +00:00
David L Parkhurst
ed0de50524 Results after removing pp_assemblage structures. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6000 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-01-09 23:25:38 +00:00
David L Parkhurst
593dd3d8a9 Tony with Kappa and vreeqc.dat, but 
removed extra delta_v prints for saturation indices.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5989 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-01-05 22:29:11 +00:00
David L Parkhurst
bdccf21a99 More Delta_V in printout 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5935 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-12-21 18:00:45 +00:00
David L Parkhurst
f6b4bcdb92 Going back to original activity of water, and then 
to attenuated version with tanh, if it is similar.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5917 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-12-20 15:35:56 +00:00
David L Parkhurst
b2c7cbd733 With extra printout for delta_v for minerals. 
Thinks REVISE_GASES is working properly.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5909 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-12-19 20:41:48 +00:00
David L Parkhurst
a6e74f7680 Think fixed volume P-R gases are working correctly with 
numerical derivatives.

There is a problem with CO2_conc_PR_EQ related to gas.dat.

Am going to remove -reset false from some of the gas
problems so that testing is better.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5902 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-12-16 01:04:53 +00:00
David L Parkhurst
470bf54cd9 Changed activity of water function. 
Not using slack unknown.





git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5888 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-12-12 23:49:45 +00:00
David L Parkhurst
5e04484bdb Linux version of all examples for version 3. 
Linux version of mytest with new gas.dat from Tony.

Updated Makefile for compiling on Linux.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5861 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-12-05 20:07:54 +00:00
David L Parkhurst
384ebda905 Updated to latest examples. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5853 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-12-02 23:37:33 +00:00
David L Parkhurst
ab922cc5e5 Latest examples. PR nearly done. 
Extra prints for gases, temperature format changed slightly.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5815 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-11-23 18:19:23 +00:00
David L Parkhurst
8188d11748 printing out pressure in examples. 
Linux changes for gases.

Note: examples from previous version are being checked in..



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5798 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-11-21 19:32:51 +00:00
David L Parkhurst
cc18945a47 Latest version (5757) with fixed up PBasic (std::map). 
Checking in examples and mytest.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5758 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-11-09 20:39:29 +00:00
David L Parkhurst
c144420ba5 Has PR calculations. 
PBasic not used here. Will compare to this.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5748 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-11-08 20:11:46 +00:00
David L Parkhurst
63409e2814 Latest version of mytest and examples. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5226 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-03-24 16:56:55 +00:00
David L Parkhurst
061162d7f3 Added ndiff option 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5144 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-02-18 01:17:54 +00:00
David L Parkhurst
1885a0e119 Tony's new example 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5042 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-01-10 20:09:00 +00:00
David L Parkhurst
d2ca92cc3f Some spec cond diffs. 
Some Linux/Dos diffs.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4911 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-10-26 22:48:33 +00:00
David L Parkhurst
6ab3634f51 Recheckin test cases for 2.17.3. 
Used debug versions previously.
These versions are Class_release for mytest,
Release for examples.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4734 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-08-11 21:48:53 +00:00
David L Parkhurst
837392116a Runs all test cases. 
Checking in for version 2.17.3.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4733 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-08-11 20:10:30 +00:00
David L Parkhurst
a9988e1a8c Fixed path for Windows. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4570 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-06-22 17:37:03 +00:00
David L Parkhurst
c4ba8b0946 output for version 4267. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4269 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-19 23:39:34 +00:00
David L Parkhurst
d4c7e440ab Removing zero editing. 
Adding all files from phreeqc using ../database




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4039 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-10 22:47:02 +00:00
David L Parkhurst
5e56e516a9 Before modification to use standard database files, 
shorten run times, and limit output.





git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4038 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-10 21:04:30 +00:00
David L Parkhurst
eff36e06f4 PHREEQC runs as class. 
Have fixed bugs with dump_cpp.

Checking in Release results for test cases.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3884 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2009-12-09 16:28:52 +00:00
David L Parkhurst
a6b6c7756a Updated phreeqcpp to have examples from phreeqc. 
equilibrium_phases_read_raw has duplicate lines.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3724 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2009-10-27 20:29:04 +00:00
David L Parkhurst
f8e54fd93e Added comparison to phreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2765 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2008-03-21 20:31:40 +00:00