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Author SHA1 Message Date
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
David L Parkhurst
cb2160c0d7 Only write saturated cells to restart file. 
Only write up to nchem not nxyz cells to the restart file (need to reconsider for solids).

Fixed selected output.

remove asserts in doubleize

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8287 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-12-06 01:04:33 +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
David L Parkhurst
a7f2845bfd Still working on selected output. 
Moved DumpModule

Fixed logic in InitialPhreeqc2Concentrations
Fixed logic in cxxStorageBin::read_raw

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8283 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-12-05 22:22:58 +00:00
Scott R Charlton
e7289859f3 added multi_punch example 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8225 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-22 00:58:25 +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
9b9db5f49d added example for GetNthSelectedOutputUserNumber/SetCurrentSelectedOutputUserNumber 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8214 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-19 05:19:27 +00:00
Scott R Charlton
5612684966 added strlen header for linux 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8209 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-19 00:30:47 +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
David L Parkhurst
7eda614aac removed selected_output_names from IPhreeqcPhast. 
Changed array in hdf to a std::vector.
Revised to use new way to write hdf.cpp
   Still just roughed in.
   Does not handle multiple selected output files.
   Probably need to rewrite HDF routines to use C++ or perhaps write in Fortran.
   GetSelectedOutput should be changed to write an nxyz array.
Serial and parallel HDF seem to work.
reaction_module::GetSelectedOutput writes an array with chem_count elements,
   SHOULD be nxyz?
EndTimeStep is now public, should be private.

#define OLD_HDF might work to revert to previous methods.

Added RMHelper.cpp to write the HDF.

CSelectedOutput Doublize fixed EMPTY.


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8182 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-13 22:20:57 +00:00
David L Parkhurst
cfe3d9d988 Working on selected_output. 
Think it is now working serial and maybe parallel to retrieve selected output to root through GetSelectedOutput.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8181 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-08 20:13:14 +00:00
David L Parkhurst
c3dbe39d24 Working on sending select_output data to root process. 
Have serializerr and deserializer.
Have mpi and thread processing.
Need to write the part that writes the xyz and hdf files.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8179 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-06 23:36:15 +00:00
Scott R Charlton
4fa2e9bcfc updating documentation for C/Fortran routines 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8177 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-06 04:05:02 +00:00
Scott R Charlton
7ae0e12a87 fixed f90 example 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8161 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-02 01:31:02 +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
6fe716a692 alphabetized libiphreeqc_la_SOURCES and added Version.h 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8154 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-01 06:10:29 +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
165b30e7ba changed selected.id.out to selected_n.id.out 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8021 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-07 04:37:05 +00:00
Scott R Charlton
203a8bd67e working on dist 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8020 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-07 03:54:02 +00:00
Scott R Charlton
f6c3e998e6 working on dist 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8019 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-07 03:43:35 +00:00
Scott R Charlton
f75c09eb6c updated for new multi selected output files 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8016 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-06 23:22:12 +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
c12969725a added SetCurrentSelectedOutputUserNumber GetCurrentSelectedOutputUserNumber GetSelectedOutputCount GetNthSelectedOutputUserNumber 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8007 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-05 06:38:25 +00:00
Scott R Charlton
67ed0d1995 added SetCurrentSelectedOutputUserNumber GetCurrentSelectedOutputUserNumber GetSelectedOutputCount GetNthSelectedOutputUserNumber 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8006 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-05 06:37:29 +00:00
Scott R Charlton
b392f96c73 added SetCurrentSelectedOutputUserNumber GetCurrentSelectedOutputUserNumber GetSelectedOutputCount GetNthSelectedOutputUserNumber 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8005 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-05 06:35:59 +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
f08689c230 updated some documentation for multi-punch 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7975 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-28 04:57:23 +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
Scott R Charlton
a0db8567c1 updated database paths for running on linux 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7953 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-23 04:58:59 +00:00
Scott R Charlton
9873bfef26 All tests passing on windows; before inverse change 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7952 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-23 04:46:35 +00:00
Scott R Charlton
a23e36491a minor cleanup 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7949 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-20 02:34:08 +00:00
Scott R Charlton
c6377ae656 minor cleanup 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7947 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-20 02:30:14 +00:00
Scott R Charlton
2c65a6353e working on multi_punch tests for IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7946 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-17 06:18:06 +00:00
Scott R Charlton
b69f9352da updates for multi_punch 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7928 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-13 22:06:57 +00:00
Scott R Charlton
71f7e7785f updates for multi_punch 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7927 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-13 22:01:41 +00:00
Scott R Charlton
4221c4bdb8 updates for renaming SelectedOutput to CSelectedOutput 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7926 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-13 21:41:54 +00:00
Scott R Charlton
35cc8edceb renamed SelectedOutput to CSelectedOutput 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7925 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-13 21:30:41 +00:00
Scott R Charlton
e8bcdd8c1f fixes compile error on linux; 
changes made for TestIPhreeqc::case2 

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7923 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-13 21:26:16 +00:00
Scott R Charlton
1a815501c0 all tests passing for one selected_output file; 
may still need additional tests for TestIPhreeqc case1 and case2

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7919 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-12 22:24:18 +00:00
David L Parkhurst
b11bb4a3e1 functions are fcn 
Added cookie to c callback.



git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@7895 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-08 19:53:31 +00:00
David L Parkhurst
9212e8f18d Fixed post-build in project 
Phreeqc.h was jacked up??? The has_infinite block did not end until the end of the file.

Made the arguments for the C callback double, double, const char *.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@7888 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-07 17:01:30 +00:00
David L Parkhurst
dc6d21b5ae 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@7884 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-05 20:53:54 +00:00
David L Parkhurst
21ca300721 Added a Fortran callback. 
Will try to revise so that the same callback works for Fortran and C.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@7883 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-05 18:56:31 +00:00
Scott R Charlton
955b586120 minor cleanup 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@7706 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-05-10 23:10:46 +00:00