Guy had problems with static variables with OpenMP.
Also removed other static variables fpunchf_user s_warning and buffer, spread length, utilities spinner. Put in Phreeqc.h.
Removed static fnbuf from Pbasic.cpp, put in Pbasic.h.
I think only static variables are in Keywords.h and are necessary for initialization.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6770 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
In parser, do not echo if using last line.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5982 1feff8c3-07ed-0310-ac33-dd36852eb9cd
get_line moved to PHRQ_io.
Still debugging some.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5967 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Will continue to remove PHREEQC_CLASS.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5711 1feff8c3-07ed-0310-ac33-dd36852eb9cd
clean up some consts.
Adding methods for Mix, Reaction, Temperature.
Need parallel method for exchange_ptr_to_user for mix, irrev, temperature.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5689 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
changed pitzer_exchange_gammas to exchange_gammas.
Fixed null pointer in prep.c
Tidy equilibirium phases after equilibirium_phases_modify, but not other reactants. For equilibrium phases, recalculates an element list.
input.fm throug exchange_modify.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4831 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Fixed up read_input to use correct keyword numbers. Updated tidy to tidy the appropriate data blocks when _modify blocks are read.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4830 1feff8c3-07ed-0310-ac33-dd36852eb9cd
M src/cxxKinetics.cxx
M src/NameDouble.cxx
M src/Exchange.cxx
M src/ISolution.cxx
M src/ISolutionComp.cxx
M src/ISolutionComp.h
M src/SSassemblage.cxx
M src/Solution.cxx
M src/GasPhase.cxx
M src/PPassemblage.cxx
M src/ISolution.h
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4654 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Added eol and other changes for linux.
Had statics in ReadClass.cxx, removed.
Problems with .dmp files. May be because of statics.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3879 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Requires recompilation of the entire solution for some reason.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3878 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
methods are not implemented.
Modified the parser to accumulate lines so that they
could be turned into a stream and reread. Modified
kinetics, exchange, ppassemblage, ssassemblage, and surface to use the new way to reread lines for component values.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3742 1feff8c3-07ed-0310-ac33-dd36852eb9cd
changed list of comps to map of comps.
made sure that description changes were captured for solution, equilibrium_phases, and exchange.
surface is next.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3725 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
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
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
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
