max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-16 16:44:49 +01:00
Code Issues Packages Projects Releases Wiki Activity

Tony turned off PR in mainsubs.cpp

Browse Source 
Kinetics deltas had wrong sign.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7071 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2012-11-09 17:15:28 +00:00
parent af6f13be9d
commit 283ff2dff0
3 changed files with 13 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
class_main.cpp
View File

@ -130,6 +130,8 @@ main_method(int argc, char *argv[])
this->phrq_io->push_istream(input_cookie);
errors = run_simulations();
//Phreeqc mycopy(*this);
this->phrq_io->clear_istream();
if (errors != 0)

9
phreeqc/mainsubs.cpp
View File

@ -2952,7 +2952,16 @@ run_simulations(void)
* Calculate distribution of species for initial solutions
*/
if (new_solution)
{
initial_solutions(TRUE);
/* For further printout, remove Peng-Robinson equilibration (if done) */
for (int i = 0; i < count_phases; i++)
{
if (phases[i]->pr_in)
(phases[i]->pr_in) = FALSE;
}
}
/*
* Calculate distribution for exchangers
*/

4
phreeqc/print.cpp
View File

@ -3095,14 +3095,14 @@ punch_kinetics(void)
fpunchf(sformatf("k_%s", punch.kinetics[i].name), "%12.4e\t",
(double) moles);
fpunchf(sformatf("dk_%s", punch.kinetics[i].name), "%12.4e\t",
(double) -delta_moles);
(double) delta_moles);
}
else
{
fpunchf(sformatf("k_%s", punch.kinetics[i].name), "%20.12e\t",
(double) moles);
fpunchf(sformatf("dk_%s", punch.kinetics[i].name), "%20.12e\t",
(double) -delta_moles);
(double) delta_moles);
}
}
return (OK);