GetSurfaceDiffuseLayerConcentrations
GetSurfaceDiffuseLayerNames
Roughed in new methods. They appear to work but not tested much.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9907 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Also no MERGE_FILES in PHREEQC
Not sure about deallocates in worker_closef
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7045 1feff8c3-07ed-0310-ac33-dd36852eb9cd
However, now need 4 configurations for IPhreeqc Debug/Release USE_MPI.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7036 1feff8c3-07ed-0310-ac33-dd36852eb9cd
All reactant structs have been removed.
Tony's pressure uses mu in pressure term of log_k.
Test cases run, discriminant check at 1e-8.
Still want to optimize out some k_temp calls and checks for same T, P, mu.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6269 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Fixed warnings and errors in Unix.
Updated Makefile for class only versions.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5728 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Changed most declarations to protected: from private:
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5688 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Update method to aid in PHAST implementation.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5687 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Removed most SKIP ifdefs
ran test cases OK.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5657 1feff8c3-07ed-0310-ac33-dd36852eb9cd
some methods.
Began moving xx2struct into phreeqc from class definitions.
First moved was cxxMix2mix to structures.c.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5648 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Started removing PHREEQC_PTR and P_INSTANCE. Redid all read_raw.
Breaks some echoing or printing of output. Need to check why.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5646 1feff8c3-07ed-0310-ac33-dd36852eb9cd
NameDouble, StorageBinListItem.
NumKeyword inherits from PHRQ_base, others inherit NumKeyword.
ChartHandler and ChartObject inherit from PHRQ_base.
CurveObject does not inherit from PHRQ_base.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5637 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Set dump, log, and punch file_on variables whereever
pr.dump, pr.log, and pr.punch were set in PHREEQC.
Added base class to Solution, ISolution, and StorageBin. Required a PHRQ_io in the constructor to find all places they were constructed.
Need to do the same to all other classes (Exchange, Surface, NameDouble, etc.)
Then need to take PHREEQC instance out of parser and fix all places a parser is constructed.
Need to move phreeqc2class constructors to phreeqc.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5628 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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
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
SOLUTION_MODIFY
EQUILIBRIUM_PHASES_MODIFY
EXCHANGE_MODIFY
SURFACE_MODIFY
SOLID_SOLUTIONS_MODIFY
GAS_PHASE_MODIFY
KINETICS_MODIFY
May now revisit dump to add a delete capability.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3714 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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
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
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
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
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
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
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
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
