Changed default logic to write xyz only for count_chem cells.
If NEW_STYLE_XYZ is defined, then xyz file contains nxyz cells.
write2_2.f90 changed to USE IPhreeqc
write5.f90 changed to USE IPhreeqc
TestRM advection_f90.F90 changed to USE IPhreeqc
TestRM species_f90.F90 changed to USE IPhreeqc
FortranAdvect.vfproj: IPhreeqc.f90.inc removed and IPhreeqc_interface.F90 added.
PhreeqcRM.vcxproj, PhreeqcRM.vcxproj.filters: fwrap files removed and IPhreeqc_interface_F.cpp added
phast3.vcxproj: added or corrected postbuild copy of zlib1, hdf5dll, and szlibdll.dll.
removed OLD_STYLE_XYZ (logically it is now the default for xyz file).
removed dead preprocessor definitions PHREEQC_CPP, MERGE_FILES, GZIP_RESTART, OMPI_IMPORTS
phastf.vfproj: removed IPhreeqc.f90.inc added IPhreeqc_interface.F90.
fwrap files are compiled if #ifdef IPHREEQC_NO_FORTRAN_MODULE
IPhreeqc_interface.F90 compiled if #ifndef IPHREEQC_NO_FORTRAN_MODULE
fixed bug intent(inout) should have been intent(in) (constant character argument).
fixed interfaces for SetBasicFortranCallback
IPhreeqc_interface_F.cpp compiled if #ifndef IPHREEQC_NO_FORTRAN_MODULE
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9356 1feff8c3-07ed-0310-ac33-dd36852eb9cd
fwrap routines are used if IPHREEQC_MODULE is not defined.
If IPHREEQC_MODULE is defined, then IPhreeqc_interface.F90 defines the Fortran Module.
compile it with the user Fortran code.
IPhreeqc_interface_F.cpp is a modification of fwrap.cpp, which the Fortran Module functions call.
IPhreeqc_interface_F.h is a modification of fwrap.h used only by IPhreeqc_interface_F.cpp.
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9347 1feff8c3-07ed-0310-ac33-dd36852eb9cd
changed lengths of character buffers to int. Perhaps OK.
Added RM_GetComponentCount to RM_interface_C.cpp.
Through GetFilePrefix in documenting.
Revised Fortran output message.
Missing interface for RM_OutputMessage
Modified tests to use GetFilePrefix, OutputMessage, ErrorMessage, and LogMessage.
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8504 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Concentrations2UtilityNoH2O
Number solutions 1-n.
Working on documentation
Revised example use of RM_Concentrations2Utility to calculate pH of a mixture.
Added inc files to project
Added interface SetCurrentSelectedOutputUserNumber to IPhreeqc.f90.inc
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8485 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Added a new RunCellsThreadNoPrint that is about 20% faster when there is no printing of the output file.
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8383 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Writes a -1 in the index for a solution that has saturation <= 0.
On reading the restart file,
A kdtree is made for all points that do NOT have solution -1
A solution is selected from the nearest available solutions for all grid points
defined to use the restart file (previously ignored -1, which wouldn't
work either.
Changed doublize to use a vector reference.
Rewrote logic again for a dry cell and CSelectedOutputMap was not defined.
A RunString caused the Selected output map to change, which invalidated my iterator.
New logic makes the dummy run first, then loads the necessary CSelectedOutputMap.
Still has a problem if Selected output has now rows, but added an assert.
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8292 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Only write up to nchem not nxyz cells to the restart file (need to reconsider for solids).
Fixed selected output.
remove asserts in doubleize
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8287 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Moved DumpModule
Fixed logic in InitialPhreeqc2Concentrations
Fixed logic in cxxStorageBin::read_raw
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8283 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Changed array in hdf to a std::vector.
Revised to use new way to write hdf.cpp
Still just roughed in.
Does not handle multiple selected output files.
Probably need to rewrite HDF routines to use C++ or perhaps write in Fortran.
GetSelectedOutput should be changed to write an nxyz array.
Serial and parallel HDF seem to work.
reaction_module::GetSelectedOutput writes an array with chem_count elements,
SHOULD be nxyz?
EndTimeStep is now public, should be private.
#define OLD_HDF might work to revert to previous methods.
Added RMHelper.cpp to write the HDF.
CSelectedOutput Doublize fixed EMPTY.
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8182 1feff8c3-07ed-0310-ac33-dd36852eb9cd
