diff --git a/test_problems/fracCoeff/.cvsignore b/test_problems/fracCoeff/.cvsignore index 73444decc..fdcee7b4f 100644 --- a/test_problems/fracCoeff/.cvsignore +++ b/test_problems/fracCoeff/.cvsignore @@ -4,7 +4,6 @@ diff_test.out output.txt runDiamond ct2ctml.log -diamond.xml xml_diff_test.out .depends *.d @@ -16,5 +15,4 @@ outputa.txt test.xml fracCoeff Sun* -frac.xml fraca.xml diff --git a/test_problems/fracCoeff/frac.xml b/test_problems/fracCoeff/frac.xml new file mode 100644 index 000000000..8b09e3c3c --- /dev/null +++ b/test_problems/fracCoeff/frac.xml @@ -0,0 +1,157 @@ + + + + + + + O H + H2 H O O2 OH H2O + + + 300.0 + 101325.0 + + + + + + + + + + + + H:2 + + + + 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, + -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 + + + + 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, + 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 + + + + + + + H:1 + + + + 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, + -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 + + + + 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, + 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 + + + + + + + O:1 + + + + 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, + 2.112659710E-12, 2.912225920E+04, 2.051933460E+00 + + + + 2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11, + 1.228336910E-15, 2.921757910E+04, 4.784338640E+00 + + + + + + + O:2 + + + + 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, + 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 + + + + 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, + -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 + + + + + + + H:1 O:1 + + + + 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, + 1.364114700E-12, 3.615080560E+03, -1.039254580E-01 + + + + 3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11, + 1.174123760E-14, 3.858657000E+03, 4.476696100E+00 + + + + + + + H:2 O:1 + + + + 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, + 1.771978170E-12, -3.029372670E+04, -8.490322080E-01 + + + + 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, + 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 + + + + + + + + + H2O =] 1.4 H + 0.6 OH + 0.2 O2 + + + 1.000000E+13 + 0.0 + 0.000000 + + + H2O:1.0 + H:1.3999999999999999 O2:0.20000000000000001 OH:0.59999999999999998 + + + + + 0.7 H2 + 0.6 OH + 0.2 O2 =] H2O + 0.80000000000000004 + 1.0 + 2.0 + + + 3.981072E+04 + 0.0 + 0.000000 + + + H2:0.69999999999999996 O2:0.20000000000000001 OH:0.59999999999999998 + H2O:1.0 + + +