From 878fbb86bbd013b38e4e09b5df6d99478f538b1c Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Tue, 6 May 2008 16:54:00 +0000 Subject: [PATCH] Rebaselined to new interface --- test_problems/VCSnonideal/NaCl_equil/good_dout.txt | 2 +- test_problems/VCSnonideal/NaCl_equil/good_out.txt | 2 +- test_problems/VCSnonideal/NaCl_equil/nacl_equil.cpp | 3 ++- 3 files changed, 4 insertions(+), 3 deletions(-) diff --git a/test_problems/VCSnonideal/NaCl_equil/good_dout.txt b/test_problems/VCSnonideal/NaCl_equil/good_dout.txt index 806485a57..06e124fc2 100644 --- a/test_problems/VCSnonideal/NaCl_equil/good_dout.txt +++ b/test_problems/VCSnonideal/NaCl_equil/good_dout.txt @@ -507,7 +507,7 @@ VCS CALCULATION METHOD Si 0.000000000000E+00 0.000000000000E+00 0 Ca 0.000000000000E+00 0.000000000000E+00 0 - MODIFIED LINEAR PROGRAMMING ESTIMATE OF EQUILIBRIUM + MODIFIED LINEAR PROGRAMMING ESTIMATE OF EQUILIBRIUM - forced Stan. Chem. Pot. in J/kmol SPECIES FORMULA VECTOR STAN_CHEM_POT EQUILIBRIUM_EST. Species_Type diff --git a/test_problems/VCSnonideal/NaCl_equil/good_out.txt b/test_problems/VCSnonideal/NaCl_equil/good_out.txt index 6a8b8b76a..81546f6c0 100644 --- a/test_problems/VCSnonideal/NaCl_equil/good_out.txt +++ b/test_problems/VCSnonideal/NaCl_equil/good_out.txt @@ -154,7 +154,7 @@ VCS CALCULATION METHOD Si 0.000000000000E+00 0.000000000000E+00 0 Ca 0.000000000000E+00 0.000000000000E+00 0 - MODIFIED LINEAR PROGRAMMING ESTIMATE OF EQUILIBRIUM + MODIFIED LINEAR PROGRAMMING ESTIMATE OF EQUILIBRIUM - forced Stan. Chem. Pot. in J/kmol SPECIES FORMULA VECTOR STAN_CHEM_POT EQUILIBRIUM_EST. Species_Type diff --git a/test_problems/VCSnonideal/NaCl_equil/nacl_equil.cpp b/test_problems/VCSnonideal/NaCl_equil/nacl_equil.cpp index 6cc458a3f..29a36e65d 100644 --- a/test_problems/VCSnonideal/NaCl_equil/nacl_equil.cpp +++ b/test_problems/VCSnonideal/NaCl_equil/nacl_equil.cpp @@ -90,6 +90,7 @@ int main(int argc, char **argv) { try { int retnSub; + int estimateEquil = -1; double T = 298.15; double pres = OneAtm; @@ -127,7 +128,7 @@ int main(int argc, char **argv) { try { - retnSub = vcs_equilibrate(*mp, "TP", true, printLvl); + retnSub = vcs_equilibrate(*mp, "TP", estimateEquil, printLvl); cout << *mp; if (retnSub != 1) {