22 Commits

Author SHA1 Message Date
David L Parkhurst
d37ed2c6ae indented header files.
removed ^M from System.h





git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3169 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-10-31 15:32:53 +00:00
David L Parkhurst
37b1add946 Ifdef'd ORCHESTRA.
Added lines at end of files.

Ran test cases, a few had changes from format and Tony.





git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2182 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-08-16 19:49:38 +00:00
David L Parkhurst
7ab1e21ce7 Works with reaction calculation of pure phase equilibrium.
Worked out relation between phreeqc components H,O,charge and Orchestra H+, e-, H2O.

It's a lot of code and still have not implemented SURFACE, EXCHANGE, GAS_PHASE,

much les KINETICS.

Convergence problem when including pyrite.

Also have REACTION (REQCTION_TEMP?);

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2181 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-08-16 18:51:35 +00:00
David L Parkhurst
c78dd87daf Have version working that formats an input file for Orchestra, runs Orchestra with a system call to a batch file, reads results from Orchestra, stores results in global phreeqc storage, and prints results.
Works only for initial solution calculation.

Still some problems with the solver. Ex1 fails.

Cleaned up organization a little. Ready to start on "reaction" calculation.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2176 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-08-07 15:04:13 +00:00
David L Parkhurst
0f2ef116f2 Have version working that formats an input file for Orchestra, runs Orchestra with a system call to a batch file, reads results from Orchestra, stores results in global phreeqc storage, and prints results.
Works only for initial solution calculation.

Still some problems with the solver. Ex1 fails.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2167 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-07-31 19:07:25 +00:00
David L Parkhurst
ea61d055f0 Can read a solution result from Orchestra.cxx
Now will write routines to put results into unknown structures so that results can be printed.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2166 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-07-30 15:07:20 +00:00
David L Parkhurst
1848045bd9 Added new functions to allow multiply.
Now multiply to account for changes in pore volume due to
storage.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2098 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-06-21 19:50:55 +00:00
David L Parkhurst
4145b60e10 Fixes for cxx version of xsolution_save (constructor(n_user))
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2066 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-06-04 19:25:10 +00:00
David L Parkhurst
a7a19e57f4 Still has problems, but roughed in xsolution_save and xexchange_save
as constructor methods for Solution and Exchange.
Takes c storage and makes C++ objects after a calculation.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2062 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-05-31 21:59:00 +00:00
David L Parkhurst
7830f46d8d Merged 1727 through 2055 from orchestra/phreeqcpp_for_orch into phreeeqcpp trunk
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2057 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-05-30 23:43:59 +00:00
David L Parkhurst
2b442eef30 git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1723 1feff8c3-07ed-0310-ac33-dd36852eb9cd 2007-01-30 01:34:18 +00:00
David L Parkhurst
93a7759e1b Beginning to revise cpp classes.
Have worked on mixing solutions.

Roughed in mixing Exchange.h



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1722 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-01-30 01:05:44 +00:00
David L Parkhurst
cb46a1debf Removed warning messages from compiler
casts, bool conversion, others

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1009 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-07-07 22:13:43 +00:00
David L Parkhurst
d8a1b2d7fa Renaming some files
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@907 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-05-09 17:12:45 +00:00
David L Parkhurst
11431ae291 packing and unpacking cxx classes for mpi is running
need to check result.

changed SurfComp.h SurfaceComp.h
changed SurfComp.cxx SurfaceComp.cxx

changed SurfCharge.h SurfaceCharge.h
changed SurfCharge.cxx SurfaceCharge.cxx

Added Dictionary.cxx and Dictionary.h




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@894 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-05-04 00:02:01 +00:00
David L Parkhurst
574da9a1ac Working on phast driver to use classes for main storage
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@859 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-04-12 21:44:32 +00:00
David L Parkhurst
3261c99891 Added class SolutionIsotopeList
Working through using C++ structures in transport




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@855 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-04-11 23:41:57 +00:00
David L Parkhurst
c42d985558 Moved Isotope to SolutionIsotope
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@793 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 20:09:24 +00:00
David L Parkhurst
39494b0287 Renamed SolutionComp to ISolutionComp because it is not
used in cxxSolution.

Fixed Makefile to new names



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@792 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 19:52:52 +00:00
David L Parkhurst
75b28d81ca Moved Conc to SolutionComp
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@791 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 18:34:28 +00:00
David L Parkhurst
3da5643ae7 Makefile is working.
Will make pc version and then can move on.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@789 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 17:35:35 +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