20 Commits

Author SHA1 Message Date
David L Parkhurst
694c07488e Bugs with kinetics in PHAST.
The formula was not correct when converted to a phreeqcpp class, only the last instance of an element was kept and the rest were lost. Modified NameDouble to accumulate the sum of coefficients for each element when converting from a PHREEQC structure.

The order of the kinetics components was not maintained when converted to a phreeqcpp class. Components were in alphabetical order. This posed a problem with get and put statements because the gets could end up before the puts. Changed from map of components to list of components, which should maintain the order correctly.

Problems with modify solution and redox elements. Laurin pointed out that adding N may leave all the N(x) in place, which increases the total N. Revised read_solution to merge the valence states. If N defined, then all N(x) are removed. If N() defined, then N is removed. Still need to test.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3927 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-01-14 16:26:14 +00:00
David L Parkhurst
d850641336 mpi.h needs to be defined first because of a conflict with stdio (SEEK_SET ifdef).
output.h is needed for NameDouble mpi version.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3886 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-09 17:35:19 +00:00
David L Parkhurst
9f4eefd214 Made all the changes to add phreeqc pointer as argument to
Phreeqcpp class methods.

Still compiles on Debug and Release, but problem with
phrq_malloc in cvdense and cvode.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3876 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-08 18:09:39 +00:00
David L Parkhurst
157e5cc729 Slowly adding arguments and qualifiers to pass phreeqc class instance to routines that need it.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3873 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-08 00:56:50 +00:00
David L Parkhurst
2b76f04a8b Cleaned up header files to remove unnecessary includes of .h files. Moved includes to source code where possible.
Moved some methods for .h to source files to avoid need for includes.

Debug and Release compile. 

Still need to get class version working. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3868 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-07 19:49:38 +00:00
Scott R Charlton
07d5fa7413 merged 3750-3846 of plusify; system.cxx and system.h need to be formated
removed char * and used std::string's and std::map's

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3847 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-03 01:49:56 +00:00
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
25666df97c Used new gcc on srv2rcolkr.
Cleaned up all the const errors when using constant string in 
arguments to functions.

removed ex1.

Modified makefile to include/exclude cl1mp.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2712 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-02-19 22:05:11 +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
888140c4a5 Updated with phreeqc files.
Main difference is the logic for rebuilding a model. Should
run faster now, but has slight differences in example files.

Imported changes from ph2orch.

Plan to make phreeqcpp a subdirectory of ph2orch/src.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1601 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-01-10 00:03:03 +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
6df20749e2 Added mix_cxxExchange to storage bin with assorted routines and
changes to make it work.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@921 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-05-12 19:26:37 +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
c41fb4e5ec phastpp works on linear_ic in debug mode.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@862 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-04-13 21:16:33 +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
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