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
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
Made dependencies the same for serial and parallel,
can check with make depends and make depends_parallel,
dependencies and dependencies_parallel should be the same.
Modified fortran with -I/usr/include for gfortran compiler
to find mpif.h.
Now use mpif.h in mpimod.F90 to define MPI_COMM_WORLD.
Dictionary.h moved in cxx files to make serial and parallel
dependencies the same.
Ifdef'd mpimod to exclude everything in module for serial version.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2707 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
