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Changed calc_logk_s to use original equation.

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8755 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2014-05-20 20:12:05 +00:00
parent caf7554690
commit 6a75a7f38b
2 changed files with 21 additions and 6 deletions
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12
basicsubs.cpp
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@ -373,13 +373,13 @@ calc_logk_s(const char *name)
{
l_logk[i] = 0.0;
}
if (s_ptr->moles)
select_log_k_expression(s_ptr->rxn_x->logk, l_logk);
else
{
//if (s_ptr->moles)
//select_log_k_expression(s_ptr->rxn_x->logk, l_logk);
select_log_k_expression(s_ptr->rxn->logk, l_logk);
//{
// perhaps calculate species' delta_v if absent?
select_log_k_expression(s_ptr->rxn_s->logk, l_logk);
}
// select_log_k_expression(s_ptr->rxn_s->logk, l_logk);
//}
add_other_logk(l_logk, s_ptr->count_add_logk, s_ptr->add_logk);
lk = k_calc(l_logk, tk_x, patm_x * PASCAL_PER_ATM);
return (lk);

15
tidy.cpp
View File

@ -3001,6 +3001,21 @@ tidy_species(void)
s[i]->equiv = surface_coef;
}
}
for (i = 0; i < count_master; i++)
{
if (master[i]->gfw <= 0.0)
{
if (master[i]->type >= EMINUS) continue;
if ((strcmp(master[i]->elt->name, "E") != 0) && (strcmp(master[i]->elt->name, "e") != 0))
{
input_error++;
error_string = sformatf(
"Gram formula wt in SOLUTION_MASTER_SPECIES should not be <= 0.0, %s.\n", master[i]->elt->name);
error_msg(error_string, CONTINUE);
}
}
}
return (OK);
}
/* ---------------------------------------------------------------------- */