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Author SHA1 Message Date
Scott R Charlton
e31acfe57a added R scripts to build datasets 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8489 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-13 05:36:56 +00:00
Scott R Charlton
041c8173f6 working on build for R 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8488 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-13 03:33:44 +00:00
David L Parkhurst
a64b046058 Concentrations2UtilityH2O 
Concentrations2UtilityNoH2O
Number solutions 1-n.

Working on documentation

Revised example use of RM_Concentrations2Utility to calculate pH of a mixture.

Added inc files to project

Added interface SetCurrentSelectedOutputUserNumber to IPhreeqc.f90.inc

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8485 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-12 18:08:11 +00:00
Scott R Charlton
5a9f8b68ec added svn:ignore 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8483 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-11 23:33:44 +00:00
Scott R Charlton
3aec9ae1f6 working on docs 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8478 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-11 05:49:08 +00:00
Scott R Charlton
47b6d550fa working on docs 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8477 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-11 05:08:19 +00:00
Scott R Charlton
5eb07d87f4 added missing } 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8476 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-11 04:54:22 +00:00
Scott R Charlton
fbae98ad41 working on docs 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8475 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-11 04:49:00 +00:00
Scott R Charlton
0e1962ecf9 working on docs 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8474 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-11 04:00:32 +00:00
Scott R Charlton
8095eb1487 changed variable name 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8472 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-11 00:24:01 +00:00
Scott R Charlton
c419fa35b3 added examples external for R dist 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8467 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-07 08:11:43 +00:00
Scott R Charlton
b1d4404266 updated bootstrap for linux 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8466 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-07 08:10:46 +00:00
Scott R Charlton
f69c37206a added extra directory to pass check 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8465 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-07 08:08:53 +00:00
Scott R Charlton
624b99370e added example 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8464 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-07 07:33:42 +00:00
Scott R Charlton
0cd1886389 working on R 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8463 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-07 07:10:29 +00:00
Scott R Charlton
ec36df6d33 added example 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8462 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-07 07:05:22 +00:00
Scott R Charlton
b295df937d updated 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8461 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-07 06:53:08 +00:00
Scott R Charlton
ab4dd5a7c3 working on R 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8460 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-07 06:40:09 +00:00
Scott R Charlton
0ab16003b6 updated 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8459 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-07 06:32:12 +00:00
Scott R Charlton
6f31050a70 added simple example 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8457 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-06 23:28:53 +00:00
Scott R Charlton
ad8b26c1e8 added missing titles 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8451 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-06 07:36:54 +00:00
Scott R Charlton
fc9f2b4148 added files from package.skeleton(name="phreeqc") 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8450 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-06 07:02:45 +00:00
Scott R Charlton
f608b56475 updated 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8448 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-06 00:45:04 +00:00
Scott R Charlton
da57470970 changed so that 'dist' and 'time' are always doubles for R 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8446 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-06 00:40:58 +00:00
Scott R Charlton
9bbc3aa629 updating docs 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8433 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-05 07:17:50 +00:00
Scott R Charlton
4b0b7c1167 added phreeqcpp 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8432 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-05 02:12:35 +00:00
Scott R Charlton
432b749345 added to ignore list 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8431 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-05 02:11:50 +00:00
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