Make lists only in prep.
Fixed bug, needed to use sit_count_cations, etc.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9809 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Added variable all_cells to be able to initialize new cell_data.
moved old_cells, max_cells, all_cells to phreeqc class.
initialized old_cells, max_cells, all_cells in init of phreeqc class.
Added to copy constructor.
changed logic for switching to numerical derivatives by adding && numerical_fixed_volume == false
if (iterations > 99 && numerical_fixed_volume == false)
Added
gammas_pz();
jacobian_sums();
For restart in pitzer.cpp
Added
gammas_sit();
jacobian_sums();
for restart in sit.cpp.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8835 1feff8c3-07ed-0310-ac33-dd36852eb9cd
First exchange and surface species were included in lists.
Second, a map used to lookup the pitzer parameter number got out of date when tidy_pitzer was called.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8576 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Fixed error with Pitzer paramenters that were not recalculated with
a change in pressure. Parameters depend on density of water I think.
Also changed SIT, although I am not sure the parameters have a pressure
dependence.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7837 1feff8c3-07ed-0310-ac33-dd36852eb9cd
MAX_ITERS 40
hnew = hg
predict_fail
CVMEM cvode_error == TRUE || predict_fail after CVnls
if (CVMEM cvode_error == TRUE) after CVNewtonIteration
CVDoErrorTest exit(4);
model
Phreeqc.cpp
pitzer.cpp
sit.cpp
new status ifdef'd with NPP
250 ms delay
new global variable std::string string_status
!!prep: switch_bases 10 to 100 orders of mag. Need to check
utilities.cpp: new status
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7585 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Running ion association model with equilibrium phases
Running Pitzer.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7449 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
