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Including OH- in converting units. Revised calculated density for H+ and OH-. Makes a difference in several test cases. Removed timing at end of .out in test cases. Checking in all test cases and selected output.

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This commit is contained in:
David Parkhurst 2021-06-10 17:21:08 -06:00
parent 47e1ce5dfb
commit 48cb5e8969
1 changed files with 4 additions and 1 deletions
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5
prep.cpp
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@ -1798,6 +1798,9 @@ convert_units(cxxSolution *solution_ptr)
/*
* Convert units
*/
#ifdef ORIGINAL
sum_solutes = exp(-solution_ptr->Get_ph() * LOG_10);
#else
double g_h, g_oh;
compute_gfw("H", &g_h);
compute_gfw("OH", &g_oh);
@ -1813,7 +1816,7 @@ convert_units(cxxSolution *solution_ptr)
species* s_oh = s_search("OH-");
sum_solutes += s_oh->moles / soln_vol * g_oh;
}
#endif
cxxISolution *initial_data_ptr = solution_ptr->Get_initial_data();
std::map<std::string, cxxISolutionComp >::iterator jit = initial_data_ptr->Get_comps().begin();
for ( ; jit != initial_data_ptr->Get_comps().end(); jit++)