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Rebaselined the problem. The solution changed in the 4th sig digit,

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because, I think, the physical constants changed in ct_defs.h
This commit is contained in:
Harry Moffat 2003-08-21 22:25:13 +00:00
parent c04c3087f7
commit 34ff876182
7 changed files with 20 additions and 17 deletions
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3
test_problems/Makefile.in
View file

@ -8,15 +8,18 @@ all:
cd cxx_ex; @MAKE@ all
cd silane_equil; @MAKE@ all
cd surfkin; @MAKE@ all
cd diamondSurf; @MAKE@ all
test:
cd cxx_ex; @MAKE@ test
cd silane_equil; @MAKE@ test
cd surfkin; @MAKE@ test
cd diamondSurf; @MAKE@ test
clean:
$(RM) *.*~
cd cxx_ex; @MAKE@ clean
cd silane_equil; @MAKE@ clean
cd surfkin; @MAKE@ clean
cd diamondSurf; @MAKE@ clean

14
test_problems/silane_equil/output_blessed.txt
View file

@ -1,17 +1,17 @@
temperature 2000 K
pressure 100 Pa
density 1.33178e-05 kg/m^3
density 1.33171e-05 kg/m^3
mean mol. weight 2.21449 amu
1 kg 1 kmol
----------- ------------
enthalpy 3.03214e+07 6.715e+07 J
internal energy 2.28127e+07 5.052e+07 J
entropy 111330 2.465e+05 J/K
Gibbs function -1.92339e+08 -4.259e+08 J
heat capacity c_p 15110 3.346e+04 J/K
heat capacity c_v 11355.7 2.515e+04 J/K
enthalpy 3.03232e+07 6.715e+07 J
internal energy 2.2814e+07 5.052e+07 J
entropy 111336 2.466e+05 J/K
Gibbs function -1.9235e+08 -4.26e+08 J
heat capacity c_p 15110.9 3.346e+04 J/K
heat capacity c_v 11356.3 2.515e+04 J/K
X Y
------------- ------------

2
test_problems/silane_equil/silane_equil.cpp
View file

@ -14,7 +14,7 @@
int main(int argc, char **argv) {
try {
IdealGasMix g("silane.xml");
IdealGasMix g("silane.xml", "silane");
g.setState_TPX(2000.0, 100.0, "SIH4:0.01, H2:0.99");
equilibrate(g, TP);
cout << g;

2
test_problems/surfkin/Interface.h
View file

@ -53,7 +53,7 @@ namespace Cantera {
* Find the start of the surface phase data in the xml file
* Store a pointer to the position in the tree.
*/
XML_Node* x = find_XML("", m_r, id, "", "");
XML_Node* x = get_XML_Node("#" + id, m_r);
if (!x) {
throw CanteraError("Interface","error in find_XML");
}

6
test_problems/surfkin/Makefile.in
View file

@ -48,19 +48,19 @@ CANTERA_INCDIR=@ctroot@/build/include/cantera
LCXX_FLAGS = -L$(CANTERA_LIBDIR) @CXXFLAGS@
# how to compile C++ source files to object files
.@CXX_EXT@.@OBJ_EXT@:
.@CXX_EXT@.@OBJ_EXT@: Interface.h
$(CXX) -c $< -I$(CANTERA_INCDIR) $(CXX_FLAGS)
PROGRAM = $(PROG_NAME)$(EXE_EXT)
all: $(PROGRAM)
$(PROGRAM): $(OBJS) $(CANTERA_LIBDIR)/libcantera.a Interface.h
$(PROGRAM): $(OBJS) $(CANTERA_LIBDIR)/libcantera.a
$(CXX) -o $(PROGRAM) $(OBJS) $(LCXX_FLAGS) $(CANTERA_LIBS) \
$(LINK_OPTIONS) $(EXT_LIBS) @LIBS@ $(FORT_LIBS) \
$(LCXX_END_LIBS)
$(OBJS): Interface.h
$(OBJS):
test:
@MAKE@ $(PROGRAM)

8
test_problems/surfkin/output_blessed.txt
View file

@ -1,5 +1,5 @@
H2 0.000670367
H -0.000670367
H2 0.000670329
H -0.000670329
O 0
O2 0
OH 0
@ -51,5 +51,5 @@ C3H7 0
C3H8 0
CH2CHO 0
CH3CHO 0
surf-* 0.000670367
surf-H -0.000670367
surf-* 0.000670329
surf-H -0.000670329

2
test_problems/surfkin/surfdemo.cpp
View file

@ -12,7 +12,7 @@ using namespace Cantera;
int main() {
try {
IdealGasMix gas("gri30.xml");
IdealGasMix gas("gri30.xml", "gri30");
gas.setState_TPX(1200.0, OneAtm,
"H2:2, O2:1, OH:0.01, H:0.01, O:0.01");