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44 Commits

Author SHA1 Message Date
David Parkhurst
369733e9b5 converted to classes 2021-04-06 22:21:54 -06:00
David Parkhurst
051ddba22b stag_data 2021-04-03 07:54:10 -06:00
David Parkhurst
8685225486 fixed clang errors, needed .c_str 2021-03-30 08:39:43 -06:00
David Parkhurst
d7e3be4c20 cleaned up some string_duplicate 2021-03-27 09:52:31 -06:00
David Parkhurst
157a458446 description_x 2021-03-26 22:30:28 -06:00
David Parkhurst
c748922b5e added const qualifier for all the parsing 2021-03-26 15:16:04 -06:00
David Parkhurst
bd0cad9434 vector kinetics arrays 2021-03-23 22:04:45 -06:00
David Parkhurst
1850c32c93 basic commands are now std::string 2021-03-23 21:12:46 -06:00
David Parkhurst
2f380479b1 size_t for subscripts 2021-03-20 14:03:20 -06:00
David Parkhurst
a99253764f (void)sscanf, removed SKIP, removed PHREEQ98 2021-03-12 18:11:29 -07:00
David Parkhurst
81e862db5d Tonys changes Mar 10. SIs in inverse calulations 2021-03-10 14:08:03 -07:00
David Parkhurst
aa4d02340a fixed some c2011 warnings, added more info for -formula errors, fixed pressure llnl examples 2020-06-01 12:06:43 -06:00
David Parkhurst
6a49d41253 changes to make related and mixing items independent of case. surface_mix test case. 2019-10-28 18:21:57 -06:00
David Parkhurst
8089c10273 initial Tony changes 2019-10-22 16:36:15 -06:00
David Parkhurst
c7111f77b2 Sort of works, still bugs and serious errors compared to explicit 2019-05-28 17:05:02 -06:00
David Parkhurst
71c994b6d4 skipping restart 2019-01-30 21:29:11 -07:00
David Parkhurst
040fd95fad include restart, remove ex20_debug 2019-01-29 11:03:15 -07:00
David Parkhurst
d57264d973 2. changes to solid solution numerical method 2019-01-28 22:08:04 -07:00
David Parkhurst
3fd8155d56 changes to solid solution numerical method 2019-01-28 21:08:54 -07:00
David Parkhurst
2b14a9475c Tony's changes 20190117 2019-01-28 17:24:59 -07:00
David Parkhurst
53148278fc Tony's changes; diffuse layer with pitzer 2018-08-01 17:44:32 -06:00
David Parkhurst
4271ca42ad Tonys corrections, added balonis test 2018-08-01 15:33:36 -06:00
David Parkhurst
fa7a3c7192 Tony's changes and bug fixes 2018-02-17 20:09:31 -07:00
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
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
75cce6a2a2 Do not use full pitzer for all retries in run_wrapper only number 4. 
Eliminate lg rows from array if not full_pitzer.

Make lists at the end of prep (may be in error on trunk for initial solutions).

sit_revise_guesses had some bad logic, now tries to get within a factor of 2 (fail logic revised).

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/sit@9614 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-08 17:52:03 +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
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
Scott R Charlton
7c0b1106aa first pass @ removing std::cerr, std::cout, exit, stderr, stdout from R version. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8619 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-04-05 04:14:16 +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
47d0c62fc3 Added new Basic function kin_time, which is the time interval for the current kinetic integration. 
kin_delta/kin_time is the average rate over the time interval.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7676 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-05-01 16:14:16 +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
24ed8b5cc0 Tony's changes for gases. 
Removes some more 's.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7653 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-04-26 16:57:25 +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
f73a156b02 revised cvode is working I think. 
Had to be careful when updating m_temp and use the saved solutions.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7650 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-04-26 14:08:29 +00:00
David L Parkhurst
40e97fd96c Fix to the incremental updating. f uses saved pp_assemblage and ss_assemblage. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7619 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-04-04 23:03:02 +00:00
David L Parkhurst
6917e9be1e Error, used last_good_y instead of kinetic_y at final step. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7618 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-04-04 21:40:35 +00:00
David L Parkhurst
4733f935ed Working on REVISED_CVODE ifdef. 
Runs correctly, but does not produce correct deltas.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7617 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-04-04 19:41:26 +00:00
David L Parkhurst
5330549e53 Revising cvode 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7616 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-04-04 14:03:53 +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