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113 Commits

Author SHA1 Message Date
David Parkhurst
666e4b813e Issue 160 in phreeqc. llnl minimum temperature problem. There are several places where a SOLUTION is constructed to get lists or test the database. By default the SOLUTION is 25C, so if llnl has a minimum temperature greater (or maximum temperature less) than 25, an error is encountered. The fix is to change the temperature of the SOLUTIONs to the minimum temperature of the llnl grid if llnl is being used. 2024-04-15 18:21:29 -06:00
Charlton, Scott R
6e248c34be Updated to pass unit tests on linux 
Added two additional selected_output tests:
  TestSelectedOutputFileMultipleRuns
  TestGetSelectedOutputRowCountMultipleRuns
 2023-08-26 18:15:23 -06:00
Charlton, Scott R
4d2181b795 Fixed bug that caused selected_output to 
accumulate in selected_output storage
 2023-08-25 19:44:03 -06:00
Charlton, Scott R
b32560efa0 [iphreeqc] Issue 8 -- change sprintf to snprintf for CRAN (#9) 2023-01-14 22:14:20 -07:00
Scott R Charlton
35ea7ef7ba updated for classify branch 2021-04-08 11:15:55 -06:00
Charlton, Scott R
dd058e3bec implemented Get/SetErrorOn 2020-08-25 12:17:54 -06:00
David Parkhurst
ea21e58a8f Remove SetErrorFileOn from RunCellsNoPrint, RunStringThread, RunFileThread. Remove Set_error_on from IPreeqc::SetErrorFileOn. 2020-07-22 17:51:34 -06:00
Charlton, Scott R
9029c2bcba added changes from email dated 2020-07-15 2020-07-15 18:56:06 -06:00
Scott Charlton
c88ff034bc Fixed -Wcatch-value warnings reported by CRAN 2019-01-29 16:04:01 -08:00
David Parkhurst
cf35bf3bf1 fixed some bugs in the reaction lists and got to the point that data is now all available in the phreeqcrm object once FindComponents is called. 2018-08-01 21:38:39 -06:00
David Parkhurst
e8ae8322eb gammas finished, working on reactants 2018-08-01 21:32:10 -06:00
Scott R Charlton
afd4e5e623 replaced auto_ptr with unique_ptr for IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@12343 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-07 21:42:50 +00:00
Scott R Charlton
937632d8d2 removed invalid assert 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@11128 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-04-29 01:00:07 +00:00
David L Parkhurst
e4fa262155 Removed phreeqcpp/ from include statement. 
Added ifdef for PHREEQC_PARALLEL

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10557 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-12-09 16:50:33 +00:00
David L Parkhurst
a51e899fdc Activated argument for number of threads. 
Typo in print.
Revised ASSERT to avoid asserting with std::cerr.


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10364 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-10-08 15:20:42 +00:00
Scott R Charlton
3cfce822e4 added safe_close to log_ostream; fixed segv for selected output 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10121 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-08-20 00:29:23 +00:00
David L Parkhurst
4a4d22f675 safe closed streams in IPhreeqc; set subsystem to console in order to stop after non-debug; set worker phrq_io error_ostream to std:cerr. 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10089 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-08-17 22:41:27 +00:00
David L Parkhurst
65e8272554 Catch std::exception 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10087 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-08-17 13:11:41 +00:00
David L Parkhurst
33aa0bc2cc Add errprt in steady flow. 
Some changes in solution files, 
IPhreeqc catch std::exception and print meaning.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10086 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-08-17 13:05:39 +00:00
David L Parkhurst
33b3fc6140 working on print/punch processing issue 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9657 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-14 19:45:41 +00:00
David L Parkhurst
6c199ffc46 len=l for callback fortran string. 
Made basic callback string a "const" in 8 places.


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9463 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-04-02 22:59:33 +00:00
David L Parkhurst
81d91ff357 length argument needed for callback. 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9435 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-30 18:38:56 +00:00
David L Parkhurst
b66d8cf775 Working on IPhreeqc Basic callback. Compiles with ISO_C_BINDING, but may need some more debugging. 
Need to merge this change with PhreeqcRM-trunk.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9424 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-27 22:03:36 +00:00
Scott R Charlton
866b2bed2c changed the following in order to pass make check on linux 
#ifdef _DEBUG
  this->OutputFileOn = false;
#endif

to

#if !defined(NDEBUG)
  this->OutputFileOn = false;
#endif



git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9292 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-02-20 05:49:48 +00:00
Scott R Charlton
6a4760abd6 changed all fortran string length parameters to be size_t 
simplified fortran wrappers for windows


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9015 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-10-29 01:59:37 +00:00
Scott R Charlton
202e29cb8e made catch(...) always rethrow; 
changed catches to const references


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8905 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-08-05 02:42:09 +00:00
Scott R Charlton
9800894e5f set but not used 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8826 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-07-09 23:52:45 +00:00
Scott R Charlton
392f48a9ed removed unused buffer 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8695 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-05-01 04:22:08 +00:00
Scott R Charlton
89ec1151d6 fixed problem with formatting size_t 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8680 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-04-29 21:22:09 +00:00
Scott R Charlton
2174deb498 first pass @ removing std::cerr, std::cout, exit, stderr, stdout from R version. 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8619 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-04-05 04:14:16 +00:00
Scott R Charlton
c29824b389 AccumulatedLines are now cleared after LoadDatabase/LoadDatabaseString/RunFile/RunString. 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8583 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-03-20 05:55:57 +00:00
Scott R Charlton
7dc26ca743 Fixes error that occurs when using the DATABASE keyword with multiple calls RunAccumulated 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8574 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-03-19 06:26:46 +00:00
Scott R Charlton
cab196fcc5 passes all unit tests on windows 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8506 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-20 07:19:05 +00:00
Scott R Charlton
700486f71c kinn fix 2014-02-18 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8501 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-19 01:24:38 +00:00
Scott R Charlton
dd008160f1 Added additional check to LoadDatabase 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8399 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-24 03:46:46 +00:00
Scott R Charlton
7df5a17e29 Added some additional std::map checking 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8288 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-12-06 05:19:34 +00:00
Scott R Charlton
435f2e2eb6 Added some assertions; optimized GetSelectedOutputValue; added some multi selected-output tests 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8285 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-12-05 23:59:31 +00:00
Scott R Charlton
0f93d71fc3 updated for SetCurrentSelectedOutputUserNumber 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8224 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-22 00:45:17 +00:00
Scott R Charlton
fef2ebd9db Added extra check in IPhreeqc::GetSelectedOutputValue 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8195 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-16 06:26:16 +00:00
Scott R Charlton
7f03b8b72d removed old Warning for selected_output and user_print being redefined 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8159 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-02 01:12:18 +00:00
Scott R Charlton
81009f8570 added GetVersionString 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8153 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-01 04:20:31 +00:00
Scott R Charlton
9d18ae8811 fixed and added tests for SetSelectedOutputFileName 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8036 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-14 03:46:01 +00:00
Scott R Charlton
0cf335ee8c fixed for debug build 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8035 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-14 00:09:41 +00:00
David L Parkhurst
f8988aa2c0 Added river turning into drain in IPhreeqc version of PHAST 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8034 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-13 21:18:23 +00:00
Scott R Charlton
070baebe94 updated for (Set)CurrentSelectedOutputUserNumber 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8028 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-13 05:52:16 +00:00
Scott R Charlton
f74d6d8fe7 added SetCurrentSelectedOutputUserNumber GetCurrentSelectedOutputUserNumber GetSelectedOutputCount GetNthSelectedOutputUserNumber 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8008 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-05 06:39:13 +00:00
Scott R Charlton
7965206518 A few tests need to be updated. 
Merged revision(s) 7882-7988 from IPhreeqc/branches/multi_punch:
multi_punch branch

........
Added a Fortran callback.

Will try to revise so that the same callback works for Fortran and C.
........
Revised name to BasicFortran

Added methods for C call SetBasicCallback.

Need to check C side and documentation.
........


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@7989 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-28 23:32:19 +00:00
Scott R Charlton
96931f4835 fixed for phreeqc3-multi-punch; 
passes all unit tests

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7979 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-28 05:03:26 +00:00
Scott R Charlton
c7a0836273 cleanup 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7968 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-27 05:27:58 +00:00
Scott R Charlton
2ae3e40889 changes req'd for multi_punch 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7967 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-27 05:07:46 +00:00