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Author SHA1 Message Date
David L Parkhurst
8d475282bf Added read_raw_keyword. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2271 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-09-20 19:09:38 +00:00
David L Parkhurst
75255ea2f2 No memory leak check in output files. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2205 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-08-30 16:36:35 +00:00
David L Parkhurst
e3859a08c3 reordering mpi.h 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2189 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-08-28 20:45:29 +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
c5d2d6d80d Fixed some warnings found by Studio (casts) 
mix.c is now obsolete and eliminated from project.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2079 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-06-15 21:28:13 +00:00
David L Parkhurst
b2dd9ad8d1 Simplified test for missing solution. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2077 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-06-15 19:46:31 +00:00
David L Parkhurst
0bebfae5a5 Fixed bug in get_total_element 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2067 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-06-04 22:49:27 +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
8a84d79562 End of line for now, have solution and exchange saving from 
c storage after calculation.

However, phast uses slightly different storage for total
elements in buffer, not individual redox states.

Have not done surface, equilibrium_phases, gas, solid solutions,
kinetics equivalent of x_save.





git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2063 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-05-31 22:48:39 +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
4a5bbef324 New compiler, lots of diffs in test cases. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2042 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-05-09 21:26:19 +00:00
David L Parkhurst
546c3e8e95 Had extra :: qualifiers, not needed in header file. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1864 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-03-16 18:12:22 +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
Scott R Charlton
bd852de57c removed extraneous cxxDictionary:: from int2char method 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1645 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-01-20 01:22:45 +00:00
David L Parkhurst
4f7eec29d6 gcc did not like comma at end of enumeration 
ci raw and raw.out, added to Makefile



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1608 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-01-10 23:46:29 +00:00
David L Parkhurst
07f03ea2e5 Fixed echo in parser for ReadClass.cxx. 
Works with testcase "raw".

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1607 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-01-10 23:19:56 +00:00
David L Parkhurst
2dc33fb7ae Working on echoing for CParser 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1605 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-01-10 21:45:56 +00:00
David L Parkhurst
3320ef3c93 removed error increment in get_option. Logic allows a missing option in component reads, which bubble up to keyword reads. 
Turned off echo for initial_condition read of restart file.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1604 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-01-10 16:57:42 +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
eb5b95110d Stray debug print removed from StorageBin. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1426 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-11-01 20:03:05 +00:00
David L Parkhurst
4230069264 fixed warn again. 
fixed error when no doubles sent in message.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1422 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-11-01 16:00:47 +00:00
David L Parkhurst
f8c7968c72 Fixed incorrect casts. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1388 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-10-26 14:55:32 +00:00
David L Parkhurst
52ab13ec09 Fixed some bugs in C++ classes. 
Ran test cases with test_classes enabled. Everything appeared to check
correctly. 

Added new test cases to phreeqcpp/mytest.

Added zero.sed to examples and mytest.





git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1376 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-10-24 22:11:23 +00:00
David L Parkhurst
812bb1adcc Updated with Tony's MCD additions to Surface and SurfaceComp classes. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1344 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-10-20 20:04:59 +00:00
David L Parkhurst
e4ca1d77c5 Forgot to include force_equality in PPassemblageComp 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1319 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-10-16 21:14:22 +00:00
David L Parkhurst
7953591e5c Working through changes to surface structure 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1318 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-10-16 19:47:27 +00:00
David L Parkhurst
119b032594 Had not included formula_totals and formula_z in structure. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1316 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-10-16 18:46:30 +00:00
David L Parkhurst
89c12ec0e6 using type and dl_type in Surface 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1315 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-10-16 16:03:36 +00:00
Scott R Charlton
217bdd7708 Converted to VS2005. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1022 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-07-11 03:45:46 +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
309d3d7bee Fixed cast warnings in c++ 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1008 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-07-07 21:27:45 +00:00
David L Parkhurst
a524c46106 Updated to latest PHAST cpp files. 
Ran test cases.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@954 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-05-24 13:50:19 +00:00
David L Parkhurst
382075cc6a Couple changes for exchange mixing 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@945 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-05-18 16:15:04 +00:00
Scott R Charlton
1e28de647f changed automatic arrays to dynamic arrays 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@924 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-05-16 01:10:25 +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
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
764d31c7ae Added Dictionary to svn 
Use pointer to vector instead of copying arrays.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@901 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-05-04 23:09:32 +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
Scott R Charlton
297744eafa Updated for VS7.Net 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@891 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-05-03 06:37:52 +00:00
David L Parkhurst
a38caf4970 Serial version is working for Linux with restart option. 
Tried including printing just active cells, but went back to writing
entire storage bin in case wanted a new head condition with free
surface.

Waiting for Scott on Windows version.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@887 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-05-01 16:31:27 +00:00
David L Parkhurst
8356664d52 workds on serial and parallel using StorageBin for uz, sz, and phreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@878 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-04-21 22:37:51 +00:00
David L Parkhurst
cb5ccd55d1 Works with szBin on serial and parallel. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@876 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-04-21 20:00:26 +00:00
David L Parkhurst
a372f9a8a2 Simplified mix with add(int, factor) method 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@872 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-04-18 20:05:46 +00:00