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Author SHA1 Message Date
Scott R Charlton
e8333c2c19 more methods finished 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8430 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-05 01:58:41 +00:00
Scott R Charlton
87a887fe9f more methods finished 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8429 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-05 01:58:29 +00:00
Scott R Charlton
961883d149 more methods finished 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8428 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-05 01:58:13 +00:00
Scott R Charlton
04fe122cc8 more methods finished 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8427 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-05 01:57:18 +00:00
Scott R Charlton
668817a8d5 more methods finished 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8426 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-05 01:53:18 +00:00
Scott R Charlton
a210ef875a working on R 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8421 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-04 06:18:23 +00:00
Scott R Charlton
fef36e8218 working on R 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8420 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-04 06:17:09 +00:00
Scott R Charlton
8c44238f16 currently working for subset of functions 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8413 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-31 00:51:04 +00:00
Scott R Charlton
3be1ca8d40 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
90d4f97753 updated for latest output 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8392 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-23 04:49:45 +00:00
Scott R Charlton
d908103d54 changed EOL to native 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8391 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-23 01:31:19 +00:00
Richard M Webb
7dcf3e3eab Now has power law transmissivity to better match recession curve for Andrews Creek. Has accounting bug that results in negative SBAR and leaking Basin_sto in *.out file. Next check-in will have a multitude of files to track volumes and geochemistry for all reservoirs. 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8387 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-22 18:30:54 +00:00
David L Parkhurst
7b09eba977 Got ex4 working with MPI. 
Added a new RunCellsThreadNoPrint that is about 20% faster when there is no printing of the output file.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8383 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-17 20:32:53 +00:00
David L Parkhurst
9a56d9f8d4 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/IPhreeqc/trunk@8380 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-16 17:20:14 +00:00
Scott R Charlton
3d44a46783 added directories for R 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8377 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-16 00:44:18 +00:00
Scott R Charlton
8cbe5574c1 starting on R build 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8376 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-16 00:38:16 +00:00
David L Parkhurst
a3a7720931 Changed Restart file: 
Writes a -1 in the index for a solution that has saturation <= 0.
On reading the restart file,
    A kdtree is made for all points that do NOT have solution -1
    A solution is selected from the nearest available solutions for all grid points
      defined to use the restart file (previously ignored -1, which wouldn't
      work either.
Changed doublize to use a vector reference.

Rewrote logic again for a dry cell and CSelectedOutputMap was not defined.
A RunString caused the Selected output map to change, which invalidated my iterator.
New logic makes the dummy run first, then loads the necessary CSelectedOutputMap.
Still has a problem if Selected output has now rows, but added an assert.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8292 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-12-06 17:44:42 +00:00
Scott R Charlton
5086b94ada 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
bec792ae89 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
63ced92fda attempt to speedup compilations 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8286 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-12-06 00:22:09 +00:00
Scott R Charlton
0b6695be8f 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
ed49fe9309 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
a8b470e37a svn on windows acts differently on linux 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8264 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-27 09:00:28 +00:00
Scott R Charlton
0fff43f00c added HTMLversion/phreeqc3.chm to dist 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8263 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-27 08:22:00 +00:00
Scott R Charlton
23ab6c55e5 added phreeqc3.chm to dist 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8261 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-27 07:53:01 +00:00
Scott R Charlton
c47fa577aa added phreeqc3.chm to dist 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8260 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-27 07:50:07 +00:00
Scott R Charlton
2abf4e8ff0 update for SelectedOutput rename 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8259 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-27 07:37:34 +00:00
Scott R Charlton
667eee1d30 Added HTMLversion as external 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8258 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-27 07:22:33 +00:00
Scott R Charlton
bb2bda43ff updated for -soln_vol to dump files 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8228 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-22 02:54:46 +00:00
Scott R Charlton
a0ddc0a7ce 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
9c964753b9 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
b930bb631e 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
6686cf481c formatting 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8213 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-19 04:57:47 +00:00
Scott R Charlton
ea0d5f0e6d renamed CurrentSelectedOutputUserNumber.c to SetCurrentSelectedOutputUserNumber.c 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8212 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-19 04:44:07 +00:00
Scott R Charlton
a594f0fbcd renamed CurrentSelectedOutputUserNumber.c to SetCurrentSelectedOutputUserNumber.c 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8211 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-19 04:43:18 +00:00
Scott R Charlton
bec88bbeae added example for CurrentSelectedOutputUserNumber 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8210 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-19 04:40:03 +00:00
Scott R Charlton
93bf28600f 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
8a9f638e1a 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
4d54640bfe 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
0b79ed0f2e 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
764111d5d3 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
83886005af updated makefile 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8178 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-06 23:12:50 +00:00
Scott R Charlton
5cf5076dd1 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
e5dcf9b9b0 updated toc for getversionstring; changed single apostrophe to double for fortran example. 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8162 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-02 01:40:47 +00:00
Scott R Charlton
150970fbdd 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
54db7172ef removed temporary test 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8160 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-02 01:20:55 +00:00
Scott R Charlton
a6288ee4d9 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
5c52b2744f updated f90 version 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8158 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-02 01:09:12 +00:00
Scott R Charlton
4b62f6d670 added minor unit testing enhancement 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8157 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-01 06:45:24 +00:00
Scott R Charlton
f53118406b added doc examples for GetVersionString 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8156 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-01 06:43:24 +00:00