max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-16 16:44:49 +01:00
Code Issues Packages Projects Releases Wiki Activity
1,125 Commits 6 Branches 4 Tags
Commit Graph

1125 Commits

This Branch
This Branch
All Branches
Author SHA1 Message Date
David Parkhurst
8e12139000 Fixed bug from Shell. Segv because s_list.size differed from count_s_x. 
Fixed compiler warnings from jenkins.
 2018-02-22 14:45:39 -07:00
David Parkhurst
fa7a3c7192 Tony's changes and bug fixes 2018-02-17 20:09:31 -07:00
Scott R Charlton
d801026f14 moved concrete-2005 and renamed to trunk 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12922 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-11-08 23:25:48 +00:00
Scott R Charlton
800f234506 added Form1.2005.resX to configure dist 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete-2005@12904 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-10-31 20:38:32 +00:00
Scott R Charlton
db60ab0e3a fixed to compile in vs2005 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete-2005@12903 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-10-31 19:55:15 +00:00
David L Parkhurst
a46a85a9f0 Making consistent 
phi = (phi > 4.44 ? 4.44 : (phi < -3 ? -3 : phi));

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12860 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-10-03 20:55:36 +00:00
David L Parkhurst
077abe0106 Tony's changes. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12858 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-09-28 21:48:05 +00:00
David L Parkhurst
b5ef46d09a Tony's changes. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12858 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-09-28 21:48:05 +00:00
David L Parkhurst
299188f3ce Fixed dist_x function for transport. 
Added dist_x test case.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12814 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-08-30 19:36:32 +00:00
David L Parkhurst
bdd21cd12a Tony's fix for LG function for exchange. 
New test case ExchangeGamma for fix.

User requested ability to show contributions to specific conductance.
Wrote a Basic program that calculates Specific Conductance (same as SC Basic function)
but also shows species contributions to the specific conductance.
PercentSC test case added.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12712 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-05-23 19:43:24 +00:00
David L Parkhurst
29a5848dbb Tony's fix for LG function for exchange. 
New test case ExchangeGamma for fix.

User requested ability to show contributions to specific conductance.
Wrote a Basic program that calculates Specific Conductance (same as SC Basic function)
but also shows species contributions to the specific conductance.
PercentSC test case added.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12711 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-05-23 19:37:55 +00:00
David L Parkhurst
5812e21193 Synced to PHREEQC3 12702 
Error when reading PHASES and -no_check was read instead
of equation.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12703 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-05-10 20:03:07 +00:00
David L Parkhurst
e6a13b7004 Error when reading PHASES and -no_check was read instead 
of equation.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12702 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-05-10 20:00:03 +00:00
David L Parkhurst
92aa19a44d Synced with concrete 12683. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12684 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-04-25 18:03:36 +00:00
David L Parkhurst
2c1f1b3354 Synced with PHREEQC 12683. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12683 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-04-25 18:03:14 +00:00
David L Parkhurst
bdef01ca9c Expanded error report for equation balancing. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12678 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-04-12 18:36:24 +00:00
David L Parkhurst
e3bac3dbb9 Updated to svn 12361 on trunk 
Added documentation for density calculate



git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12635 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-03-29 20:48:54 +00:00
David L Parkhurst
73a34a99b7 Added "calculate" capability to density in SOLUTION_SPREAD. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12623 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-03-28 21:29:45 +00:00
David L Parkhurst
bf6dcd0860 Iterate to calculate density in initial solution calculation. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12621 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-03-27 19:59:43 +00:00
David L Parkhurst
6190fb36be New Basic function TITLE 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12544 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-03-10 18:26:53 +00:00
David L Parkhurst
43ecf1e38a New Basic function TITLE 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12540 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-03-10 18:00:15 +00:00
Scott R Charlton
66481ea61f added tokequiv_frac to tokeq_frac 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12528 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-03-09 21:26:40 +00:00
David L Parkhurst
5f165e7e65 Duplicate tok 
fixed up some of the new features.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12522 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-03-08 17:19:28 +00:00
David L Parkhurst
8421d08eca Updated to phreeqc3-trunk 21475 
Adds some pr h2o tests.
Adds Aphi calculation for Jonathon Toner
Latest Tony tweak on PR.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12476 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-03-01 21:27:37 +00:00
David L Parkhurst
6a6e07e073 Tony's tweak. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12475 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-03-01 16:14:08 +00:00
David L Parkhurst
b121ec3bfe Added tests for PR calculations with water ex7_T_P pr_h2o. 
Added to Makefile
Tony's change to prep.cpp to keep phi(H2O) in a good range.
Changes to allow Jonathon Toner to define A(phi).

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12464 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-28 21:52:19 +00:00
David L Parkhurst
739dfeb915 Tony's fix for potential null pointer. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12462 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-23 18:25:51 +00:00
David L Parkhurst
a15efe539e Minor updates to databases. 
Tony fixed potential null pointer.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12461 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-23 18:17:22 +00:00
David L Parkhurst
63ac5f3c97 Fixed null check, also needs elements > 0. 
Added more test files that were missing.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12452 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-17 22:06:23 +00:00
David L Parkhurst
4df098a230 comment check for null after find_J. Don't know how it works. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12449 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-17 20:04:43 +00:00
David L Parkhurst
62286ff4a7 Commented out check for null. Not sure how it works for Clogging, will investigate on Linux. 
Checking in new SC values!


git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12447 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-17 19:45:26 +00:00
David L Parkhurst
9d2762b15e Merge to trunk 12441. 
if def comment about Ampere

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12444 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-17 00:14:46 +00:00
David L Parkhurst
cff3ae90e2 Wrote tranport_cleanup. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12440 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-16 21:50:14 +00:00
David L Parkhurst
873b98ff7c Caught error I think caused by defining X as a SURFACE and an EXCHANGEr. 
Added test case.
Initialized unknown structure variables.
Caught null pointer in Tony's multi_D.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12439 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-16 17:22:26 +00:00
David L Parkhurst
6a60c92f57 Need to set Dw 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12398 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-10 16:51:48 +00:00
David L Parkhurst
35458cd0af Initialize correct_Dw to 0. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12397 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-10 00:28:17 +00:00
David L Parkhurst
e9fe756bbe updated Makefile? fixed compiler warnings in transport.cpp 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12396 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-10 00:07:28 +00:00
David L Parkhurst
cf4a14f00e no gmp 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12395 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-09 23:40:49 +00:00
David L Parkhurst
025d2a1ee1 Merged in Tony's changes for electro diffusion. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12388 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-09 17:17:10 +00:00
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
d1cf5f96d6 Running tester on Windows. 
It's been a while since the test cases have been checked in.
With lobo gone, will do primary checks on Windows.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12376 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-08 20:26:12 +00:00
Scott R Charlton
8d624a7f00 fixed compilation for linux c++11 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12301 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-01 02:25:18 +00:00
Scott R Charlton
424c070370 fixed compilation for linux c++11 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12300 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-01 02:22:14 +00:00
Scott R Charlton
80f143a6c6 changed macros for unique_ptr 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12294 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-01 00:37:57 +00:00
David L Parkhurst
b06b4f2c33 replace auto_ptr with unique_ptr 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12293 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-01-31 22:46:43 +00:00
David L Parkhurst
9a6ec5b140 Error in sys("equi",...). 
Returned the values from the phases structure rather than from the unknown structure. So, the value from the beginning of the simulation was given rather than the reacted amount.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12204 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-01-10 16:55:38 +00:00
David L Parkhurst
52ea727147 Had a problem with mismatch between mass_water (1e-6) and 
total_o (~55.5) from Colman phast run.
Now set mass_water based on total_o.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11937 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-11-09 21:31:17 +00:00
David L Parkhurst
53fade44b5 Bug when related to surface related to kinetics and proportion was zero. 
Think there was a bug anyway trying to identify the right surface total.
Hopefully fixed.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11915 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-11-07 22:39:48 +00:00
David L Parkhurst
baf36d4af5 fix memcpy overwrite 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11412 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-06-30 21:21:08 +00:00
Scott R Charlton
8502196319 removing shrink for pitzer 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11401 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-06-30 19:33:02 +00:00