Updated PhreeqcRM tests to include a call to the new methods.
Set minimum concentration (moles) to 1e-18 in Solution.cxx.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10255 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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
Bug in calculation of total pressure of mix.
Other issues when element of a gas component was not present in the system.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8879 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Added species_map to copy operator
made mg/L default for Solution.cxx
default species_save_on is false.
Added some defaults to documentation
added species_cpp test.
bug in species_utility_cpp.txt
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8543 1feff8c3-07ed-0310-ac33-dd36852eb9cd
extra indent in write_raw for solution in front of -pH
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8071 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Added check not to update la unless both old and new totals are greater than zero.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7739 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Limit checking to new versions.
Limit loop to new for initial calculations (solution, exchange, surface, gas phase).
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7218 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
Tony revised density calculation.
Toyed with the following when testing for amdtreat in Copy equations to optimize into ineq_array
//if (x[i]->f > 1e-14/*0e-8*/ && x[i]->moles <= 0
checked for a null pointer in prep (could happen when _modify used).
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6967 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Think all output, including hdf is correct.
Skipped updating activities. OK?
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6872 1feff8c3-07ed-0310-ac33-dd36852eb9cd
updated project.
moved PHAST_IPhreeqc to IPhreeqcPhast
removed const from StorageBin getters.
Fixed some compile errors.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6776 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
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
some static and extern
unused static maps
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5717 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
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
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
