Copied files from concrete_parallel, without merging or svn_copy.
Added Dictionary.cpp and Serializer.cxx + header files.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10607 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Fixed uninitialized variables when cxxKinetics was constructed from a mix.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8682 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
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
Increased max_tries in mainsubs for responding thread.
removed extra calc_dielectrics in prep
Tony's modifications to examples.
New examples densities, phi_Angus, CO2_K_H.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6534 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
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
removed all PHREEQC_CLASS ifdefs
Need to remove old_io ifdefs
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5712 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
Added some methods, mostly getter methods.
Was calculating maximup precipitation for mineral based on limiting element in step.c. Not sure if I will used this or not. Not checking in at this time.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5322 1feff8c3-07ed-0310-ac33-dd36852eb9cd
this would make it more backward compatible.
Corrected spelling of Lambda in pitzer.dat.
Added Lambda to pitzer.c identifiers.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4848 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Skipped checking in kinetics components when using kinetics_modify.
Thru kinetics_raw.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4836 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
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
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
Added brief documentation in revisions.
Fixed dump feature of TRANSPORT to work with
dump_raw of C++.
ppdump now has testing for DUMP, DELETE, and MODIFY.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3727 1feff8c3-07ed-0310-ac33-dd36852eb9cd
surface is completed but needs testing.
SS and kinetics need to have reread of components implemented for MODIFY option.
gas_phase may be done, needs to be tested.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3726 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
