29 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
4405e60e4e Merged source up to phreeqc3-trunk SVN 10892
copied files from trunk and merged changes manually.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10893 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2016-03-04 18:13:43 +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
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
David L Parkhurst
2dd34675ab Tony's fix for erm (enrichment factors).
New test case erm.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10013 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-07-21 20:37:03 +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
David L Parkhurst
f15d9155fc GetSpeciesLogGammas
GetSurfaceDiffuseLayerConcentrations
GetSurfaceDiffuseLayerNames

Roughed in new methods. They appear to work but not tested much.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9907 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-06-29 18:23:12 +00:00
David L Parkhurst
37b8b3f49e Have surface species data saved in the charge class.
Now need to expose it with PhreeqcRM

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9896 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-06-25 22:44:39 +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
e62cc9cba3 try/catch in class_main.cpp
reset rate_sim_time in reactions to avoid carryover to transport.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8920 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-08-06 16:42:07 +00:00
Scott R Charlton
fbb95d10b0 made catch(...) always rethrow;
changed catches to const references


git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8906 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-08-05 02:49:22 +00:00
Scott R Charlton
25508288fb removed set but not used variables using gcc 4.8.2[-Wunused-but-set-variable]
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8821 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-07-09 01:46:43 +00:00
David L Parkhurst
1c49558308 Revised error message to give solution number, mainsubs.cpp.
Don't call timing_barrier in phast_manager, time_parallel.

Array to Concentrations2Solutions is nchem in size rather than nxyz in size.
Modified:
SetConcentrations
Concentrations2Solutions
Concentrations2SolutionsH2O
Concentrations2SolutionsNoH2O

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8775 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-06-03 19:04:46 +00:00
David L Parkhurst
f10f513716 Save only aqueous species in phreeqc species_map.
Added species_map to copy operator
made mg/L default for Solution.cxx
default species_save_on is false.
Added some defaults to documentation
added species_cpp test.

bug in species_utility_cpp.txt

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8543 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-03-04 20:08:26 +00:00
David L Parkhurst
c43019c496 Roughing in mcd capability.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8536 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-02-28 21:29:53 +00:00
David L Parkhurst
ab9b2ddd28 ex4 works with old flow from 8056. Will now try to keep all other changes, but go back to updated flow calculation.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8380 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-01-16 17:20:14 +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
23deef1418 Revised GetDensity to retrieve from workers.
Also, density was not saved correctly with the solution (mainsubs.cpp updated).
InitialPhreeqc2Module had an id argument which was not needed.

Wrote a test case advection_example.cpp, which is roughed into the code for now. 
Needs to be a standalone program linked to the reaction_module library.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8301 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-12-10 21:21:27 +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
4983afc68e Got a request for interacting sites, such as this surface complex.
Anat_uniOH(Anat_diO)Sn(OH)2-1

Not sure how one would calculate an activity (equivalent fraction), so did not change, but
added add_elt_list_multi_surf for a start. Would also need to change gammas to 
change the way the activity coefficient for the mixed species was calculated.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8009 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-09-05 17:06:20 +00:00
David L Parkhurst
3893414278 Think multiple instances of both SELECTED_OUTPUT and USER_PUNCH are working.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7865 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-07-31 23:07:07 +00:00
David L Parkhurst
276322a936 Have multiple SELECTED_OUTPUT working.
Need to have multiple USER_PUNCH.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7864 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-07-31 19:26:34 +00:00
David L Parkhurst
145fcc00ba vcxproj has some change.
Tony's updates to initialize pr_in

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7741 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-05-29 19:56:14 +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
d71ea17a3e Added logic for rate limiter, but not used.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7666 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-04-30 16:41:40 +00:00
David L Parkhurst
0607e086c5 Fix print of PR gases in saturation_indices.
more replacing '.

Amm.dat and pitzer.dat updated to GCA paper.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7656 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-04-29 16:05:21 +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
David L Parkhurst
dff0e3454b House cleaning for phreeqcpp
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@787 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 15:40:24 +00:00
David L Parkhurst
60a1544019 Copying new classes (cxx) and cpp files to src
Will remove cpp and header files and make phreeqc an external directory.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@785 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 00:21:39 +00:00