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Made diagonal_scale true by default.

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10703 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2016-01-19 23:06:50 +00:00
parent 516d6937ee
commit 716a978be0
3 changed files with 13 additions and 6 deletions
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2
Phreeqc.cpp
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@ -722,7 +722,7 @@ void Phreeqc::init(void)
pe_step_size_now = pe_step_size;
pp_scale = 1.0;
pp_column_scale = 1.0;
diagonal_scale = FALSE;
diagonal_scale = TRUE;
mass_water_switch = FALSE;
delay_mass_water = FALSE;
equi_delay = 0;

6
mainsubs.cpp
View File

@ -619,15 +619,17 @@ initial_solutions(int print)
k_temp(solution_ref.Get_tc(), solution_ref.Get_patm());
set(TRUE);
always_full_pitzer = FALSE;
bool diag = (diagonal_scale == TRUE) ? true : false;
diagonal_scale = TRUE;
converge = model();
if (converge == ERROR && diagonal_scale == FALSE)
if (converge == ERROR /*&& diagonal_scale == FALSE*/)
{
diagonal_scale = TRUE;
always_full_pitzer = TRUE;
set(TRUE);
converge = model();
diagonal_scale = FALSE;
}
diagonal_scale = (diag) ? TRUE : FALSE;
converge1 = check_residuals();
sum_species();
add_isotopes(solution_ref);

11
step.cpp
View File

@ -1444,13 +1444,18 @@ solution_check(void)
for (i = 0; i < count_master; i++)
{
master_ptr = master[i];
if (master_ptr->total >= 0.0)
continue;
if (master_ptr->total > -MIN_TOTAL)
if (master_ptr->total <= MIN_TOTAL && master_ptr->total >= -MIN_TOTAL)
{
master_ptr->total = 0;
continue;
}
if (master_ptr->total >= 0.0)
continue;
//if (master_ptr->total > -MIN_TOTAL)
//{
// master_ptr->total = 0;
// continue;
//}
if (master_ptr->s == s_eminus || master_ptr->s == s_h2o
|| master_ptr->s == s_hplus || master_ptr->s == s_h3oplus)
{