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[cantera]: updating autotools build system. Library building, need to fix another test. Additionally, adding hypersonic flow transport model-- need to add hypersonic thermodynamics as well.

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This commit is contained in:
Nicholas Malaya
2012-04-25 13:18:25 +00:00
parent 88bcc81b57
commit 79b29300a6
32 changed files with 18267 additions and 264 deletions
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11274
ChangeLog Normal file
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File diff suppressed because it is too large Load Diff

9
Makefile.am
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@@ -1,11 +1,11 @@
include $(top_srcdir)/doxygen/aminclude.am
# Build in these directories:
SUBDIRS = Cantera tools test_problems
SUBDIRS += doxygen examples
SUBDIRS = ext src test_problems
SUBDIRS += doxygen
# Distribute these directories:
DISTDIRS = Cantera examples
DISTDIRS = src
# generated documentation will be included in distributed archive
EXTRA_DIST = bootstrap $(DX_CONFIG)
@@ -15,3 +15,6 @@ EXTRA_DIST += AUTHORS README
pkgconfigdir = $(libdir)/pkgconfig
pkgconfig_DATA = cantera.pc
#all:
# @echo copying config.h
# cp -p config.h $(top_builddir)/include/cantera/base

2
NEWS
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@@ -1 +1 @@
11/10/11 cantera 1.8.0 development begins on autotools chain
11/10/11 cantera 2.0.0 development begins on autotools chain

22
cantera.pc.in Normal file
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@@ -0,0 +1,22 @@
# @PACKAGE_NAME@ installation details
prefix=@prefix@
exec_prefix=@exec_prefix@
libdir=@libdir@
includedir=@includedir@
# Fortran compilation and linking information
# Retrieve these using `pkg-config --variable=name @PACKAGE_NAME@`
fflags=-I@libdir@
flibs=-L@libdir@ -lf@PACKAGE_NAME@ -l@PACKAGE_NAME@
Name: @PACKAGE_NAME@
Description: @PACKAGE_DESCRIPTION@
URL: @PACKAGE_URL@
Requires:
Version: @VERSION@
LINK = -lctcxx -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo
LINK += -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lcvode
LINK += -lctlapack -lctblas -lctf2c -lm -lstdc++
Libs: -L${libdir} ${LINK}
Cflags: -I${includedir}

46
configure.ac
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@@ -90,7 +90,6 @@ DX_INIT_DOXYGEN(cantera, doxygen/cantera.dox, docs)
# Generate Output Files
AC_OUTPUT(Makefile \
test_problems/Makefile \
test_problems/f77test/Makefile \
test_problems/mixGasTransport/Makefile \
test_problems/ChemEquil_gri_matrix/Makefile \
test_problems/ChemEquil_gri_pairs/Makefile \
@@ -136,33 +135,26 @@ AC_OUTPUT(Makefile \
test_problems/cathermo/testWaterTP/Makefile \
test_problems/cathermo/VPissp/Makefile \
test_problems/cathermo/wtWater/Makefile \
test_problems/PecosTransport/Makefile \
doxygen/Makefile \
tools/Makefile \
tools/testtools/Makefile \
ext/Makefile \
ext/tpx/Makefile \
ext/cvode/Makefile \
ext/f2c_blas/Makefile \
ext/f2c_lapack/Makefile \
ext/f2c_libs/Makefile \
ext/f2c_math/Makefile \
user/Makefile \
fortran/Makefile \
fortran/src/Makefile \
cxx/Makefile \
cxx/src/Makefile \
src/Makefile \
src/base/Makefile \
src/converters/Makefile \
src/kinetics/Makefile \
src/numerics/Makefile src/oneD/Makefile \
src/thermo/Makefile \
src/transport/Makefile \
src/spectra/Makefile src/zeroD/Makefile \
src/equil/Makefile \
examples/Makefile \
build/Makefile \
examples/cxx/Makefile \
ext/Makefile \
src/tpx/Makefile \
ext/cvode/Makefile \
ext/cvode/source/Makefile \
ext/f2c_blas/Makefile \
ext/f2c_lapack/Makefile \
ext/f2c_libs/Makefile \
ext/f2c_math/Makefile \
src/fortran/Makefile \
src/Makefile \
src/base/Makefile \
src/converters/Makefile \
src/kinetics/Makefile \
src/numerics/Makefile src/oneD/Makefile \
src/thermo/Makefile \
src/transport/Makefile \
src/spectra/Makefile src/zeroD/Makefile \
src/equil/Makefile \
cantera.pc)
# skipped tests

2
ext/Makefile.am
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@@ -1,2 +1,2 @@
SUBDIRS = f2c_libs f2c_blas f2c_lapack f2c_math cvode tpx
SUBDIRS = f2c_libs f2c_blas f2c_lapack f2c_math cvode

33
ext/cvode/Makefile.am
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@@ -1,32 +1 @@
cc_sources = band.c cvband.c cvbandpre.c cvdense.c cvdiag.c \
cvode.c cvspgmr.c dense.c iterativ.c llnlmath.c \
nvector.c spgmr.c
h_sources = band.h cvband.h cvbandpre.h cvdense.h cvdiag.h \
cvode.h cvspgmr.h dense.h iterativ.h llnlmath.h \
llnltyps.h nvector.h spgmr.h
AM_CPPFLAGS = -I.
AM_CXXFLAGS = $(AM_CPPFLAGS)
AM_FCFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libcvode.la
library_includedir = $(top_builddir)/build/include
library_include_HEADERS = $(h_sources)
#-----------------------
# Cantera Converters C/C++ library
#-----------------------
__top_builddir__build_lib_libcvode_la_LDFLAGS = $(all_libraries) -release $(GENERIC_RELEASE)
__top_builddir__build_lib_libcvode_la_SOURCES = $(fc_sources) $(cc_sources)
__top_builddir__build_lib_libcvode_include_HEADERS = $(h_sources)
__top_builddir__build_lib_libcvode_includedir = $(prefix)/include
CLEANFILES = *.o
# header file accumulation
all:
@echo copying headers $<
cp -p *.h $(top_builddir)/build/include/
SUBDIRS=source

24
ext/cvode/source/Makefile.am Normal file
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@@ -0,0 +1,24 @@
cc_sources = band.c cvband.c cvbandpre.c cvdense.c cvdiag.c \
cvode.c cvspgmr.c dense.c iterativ.c llnlmath.c \
nvector.c spgmr.c
h_sources =
AM_CPPFLAGS = -I../include
AM_CXXFLAGS = $(AM_CPPFLAGS)
AM_FCFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libcvode.la
library_includedir = $(top_builddir)/include
library_include_HEADERS = $(h_sources)
#-----------------------
# Cantera Converters C/C++ library
#-----------------------
__top_builddir__build_lib_libcvode_la_LDFLAGS = $(all_libraries) -release $(GENERIC_RELEASE)
__top_builddir__build_lib_libcvode_la_SOURCES = $(fc_sources) $(cc_sources)
__top_builddir__build_lib_libcvode_include_HEADERS = $(h_sources)
__top_builddir__build_lib_libcvode_includedir = $(prefix)/include
CLEANFILES = *.o

8
ext/f2c_blas/Makefile.am
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@@ -47,7 +47,7 @@ AM_CXXFLAGS = $(AM_CPPFLAGS)
AM_FCFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libctblas.la
library_includedir = $(top_builddir)/build/include
library_includedir = $(top_builddir)/include
library_include_HEADERS = $(h_sources)
#-----------------------
@@ -64,6 +64,6 @@ __top_builddir__build_lib_libctblas_includedir = $(prefix)/include
CLEANFILES = *.o
# header file accumulation
all:
@echo copying headers $<
cp -p *.h $(top_builddir)/build/include/
#all:
# @echo copying headers $<
# cp -p *.h $(top_builddir)/include/

8
ext/f2c_lapack/Makefile.am
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@@ -14,7 +14,7 @@ AM_CXXFLAGS = $(AM_CPPFLAGS)
AM_FCFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libctlapack.la
library_includedir = $(top_builddir)/build/include
library_includedir = $(top_builddir)/include
library_include_HEADERS = $(h_sources)
#-----------------------
@@ -31,6 +31,6 @@ __top_builddir__build_lib_libctlapack_includedir = $(prefix)/include
CLEANFILES = *.o
# header file accumulation
all:
@echo copying headers $<
cp -p *.h $(top_builddir)/build/include/
#all:
# @echo copying headers $<
# cp -p *.h $(top_builddir)/build/include/

16
ext/f2c_libs/Makefile.am
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@@ -6,7 +6,7 @@ cc_sources = abort_.c c_log.c d_atn2.c dfe.c d_prod.c \
d_cnjg.c d_imag.c d_sign.c ef1asc_.c \
f77_aloc.c h_abs.c hl_lt.c i_dnnt.c \
i_sign.c lwrite.c r_asin.c \
rewind.c rsfe.c r_tanh.c s_paus.c util.c \
rewind.c rsfe.c r_tanh.c util.c \
z_cos.c backspac.c c_sin.c d_cos.c \
d_int.c d_sin.c ef1cmc_.c f77vers.c \
h_dim.c h_mod.c i_indx.c lbitbits.c \
@@ -17,15 +17,15 @@ cc_sources = abort_.c c_log.c d_atn2.c dfe.c d_prod.c \
lbitshft.c open.c pow_zi.c r_atn2.c \
r_imag.c r_sin.c s_cmp.c s_stop.c \
wrtfmt.c z_exp.c cabs.c d_abs.c d_dim.c \
d_log.c d_sqrt.c erf_.c fmtlib.c h_indx.c\
d_log.c d_sqrt.c fmtlib.c h_indx.c\
h_sign.c i_len.c l_ge.c pow_ci.c pow_zz.c\
r_cnjg.c r_int.c r_sinh.c s_copy.c sue.c \
wsfe.c z_log.c c_cos.c d_acos.c derf_.c \
d_mod.c d_tan.c erfc_.c \
wsfe.c z_log.c c_cos.c d_acos.c \
d_mod.c d_tan.c \
h_len.c i77vers.c ilnw.c l_gt.c pow_dd.c \
r_cos.c r_lg10.c rsli.c sfe.c \
system_.c wsle.c z_sin.c c_div.c d_asin.c\
derfc_.c d_nint.c d_tanh.c err.c ftell_.c\
d_nint.c d_tanh.c err.c ftell_.c\
hl_ge.c i_abs.c i_mod.c l_le.c pow_di.c \
r_cosh.c r_log.c rsne.c \
sig_die.c typesize.c wsne.c z_sqrt.c \
@@ -34,8 +34,6 @@ cc_sources = abort_.c c_log.c d_atn2.c dfe.c d_prod.c \
i_nint.c l_lt.c pow_hh.c r_abs.c rdfmt.c \
r_mod.c r_sqrt.c signal_.c uio.c xwsne.c
# arithchk.c getarg_.c iargc_.c
h_sources = f2c.h sysdep1.h fio.h fmt.h fp.h lio.h rawio.h
AM_CPPFLAGS = -I.
@@ -43,7 +41,7 @@ AM_CXXFLAGS = $(AM_CPPFLAGS)
AM_FCFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libctf2c.la
library_includedir = $(top_builddir)/build/include
library_includedir = $(top_builddir)/include
library_include_HEADERS = $(h_sources)
#-----------------------
@@ -55,7 +53,7 @@ all:
@echo copying headers $<
cp -p sysdep1.h0 sysdep1.h
cp -p signal1.h0 signal1.h
cp -p $(h_sources) $(top_builddir)/build/include/
cp -p $(h_sources) $(top_builddir)/include/
__top_builddir__build_lib_libctf2c_la_LDFLAGS = $(all_libraries) -release $(GENERIC_RELEASE)
__top_builddir__build_lib_libctf2c_la_SOURCES = $(cc_sources) $(h_sources)

10
ext/f2c_math/Makefile.am
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@@ -22,14 +22,14 @@ xersve.c \
xgetua.c \
printstring.c
h_sources = cblas.h gmres.h mkl_cblas.h
h_sources = cblas.h gmres.h
AM_CPPFLAGS = -I../f2c_libs
AM_CXXFLAGS = $(AM_CPPFLAGS)
AM_FCFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libctmath.la
library_includedir = $(top_builddir)/build/include
library_includedir = $(top_builddir)/include
library_include_HEADERS = $(h_sources)
#-----------------------
@@ -46,6 +46,6 @@ __top_builddir__build_lib_libctmath_includedir = $(prefix)/include
CLEANFILES = *.o
# header file accumulation
all:
@echo copying headers $<
cp -p *.h $(top_builddir)/build/include/
#all:
# @echo copying headers $<
# cp -p *.h $(top_builddir)/build/include/

3
src/Makefile.am
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@@ -1,6 +1,7 @@
# $Id: $
# will need to add python and matlab
SUBDIRS = base numerics converters thermo transport oneD zeroD kinetics spectra equil
SUBDIRS = base numerics converters thermo transport oneD zeroD kinetics spectra equil fortran tpx

18
src/base/Makefile.am
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@@ -1,20 +1,16 @@
h_sources = utilities.h ct_defs.h ctexceptions.h logger.h \
ctml.h plots.h stringUtils.h xml.h \
Array.h vec_functions.h global.h XML_Writer.h \
FactoryBase.h clockWC.h PrintCtrl.h \
LogPrintCtrl.h mdp_allo.h
h_sources = LogPrintCtrl.h
cc_sources = ct2ctml.cpp ctml.cpp misc.cpp plots.cpp \
cc_sources = ct2ctml.cpp ctml.cpp plots.cpp \
stringUtils.cpp xml.cpp clockWC.cpp \
PrintCtrl.cpp LogPrintCtrl.cpp mdp_allo.cpp \
checkFinite.cpp
AM_CPPFLAGS = -I$(top_builddir)
AM_CPPFLAGS = -I$(top_builddir) -I$(top_builddir)/include
AM_CXXFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libctbase.la
library_includedir = $(top_builddir)/build/include
library_include_HEADERS = utilities.h
otherincludedir = $(top_builddir)/build/include/cantera/kernel
otherinclude_HEADERS = $(h_sources)
@@ -30,8 +26,8 @@ __top_builddir__build_lib_libctbase_include_HEADERS = $(h_sources)
__top_builddir__build_lib_libctbase_includedir = $(prefix)/include
# header file accumulation -- only copy if file updated!
all:
@echo copying headers $<
cp -p *.h $(top_builddir)/build/include/
#all:
# @echo copying headers $<
# cp -p *.h $(top_builddir)/build/include/
CLEANFILES = *.o

15
src/converters/Makefile.am
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@@ -1,12 +1,9 @@
h_sources = ck2ct.h CKParser.h CKReader.h Constituent.h Reaction.h \
Species.h writelog.h ck2ctml.h ckr_defs.h ckr_utils.h \
Element.h RxnSpecies.h thermoFunctions.h
cc_sources = atomicWeightDB.cpp ck2ctml.cpp CKReader.cpp filter.cpp \
h_sources =
cc_sources = atomicWeightDB.cpp CKReader.cpp \
Reaction.cpp thermoFunctions.cpp ck2ct.cpp CKParser.cpp \
ckr_utils.cpp NASA9Parser.cpp Species.cpp writelog.cpp
AM_CPPFLAGS = -I../base -I../../../
AM_CPPFLAGS = -I$(top_builddir)/include
AM_CXXFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libconverters.la
@@ -21,9 +18,3 @@ __top_builddir__build_lib_libconverters_la_SOURCES = $(cc_sources) $(h_sour
__top_builddir__build_lib_libconverters_include_HEADERS = $(h_sources)
__top_builddir__build_lib_libconverters_includedir = $(prefix)/include
# header file accumulation
all:
@echo copying headers $<
cp -p $(h_sources) $(top_builddir)/build/include/

32
src/equil/Makefile.am
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@@ -1,16 +1,4 @@
h_sources = ChemEquil.h PropertyCalculator.h vcs_internal.h \
equil.h vcs_defs.h vcs_IntStarStar.h vcs_SpeciesProperties.h \
MultiPhaseEquil.h vcs_DoubleStarStar.h vcs_MultiPhaseEquil.h vcs_species_thermo.h \
MultiPhase.h vcs_Exception.h vcs_prob.h vcs_VolPhase.h \
vcs_solve.h
#ChemEquil.h MultiPhase.h MultiPhaseEquil.h equil.h \
PropertyCalculator.h vcs_equilibrate.h \
vcs_MultiPhaseEquil.h vcs_VolPhase.h vcs_DoubleStarStar.h \
vcs_prob.h vcs_SpeciesProperties.h vcs_internal.h \
vcs_species_thermo.h vcs_TP.h vcs_util.h vcs_VolPhase.h \
vcs_MultiPhaseEquil.h
h_sources =
cc_sources = BasisOptimize.cpp vcs_Gibbs.cpp vcs_root1d.cpp \
ChemEquil.cpp vcs_rxnadj.cpp vcs_TP.cpp \
equilibrate.cpp vcs_IntStarStar.cpp vcs_setMolesLinProg.cpp \
@@ -21,18 +9,10 @@ cc_sources = BasisOptimize.cpp vcs_Gibbs.cpp vcs_root1d.cpp \
vcs_elem_rearrange.cpp vcs_prob.cpp vcs_inest.cpp \
vcs_equilibrate.cpp vcs_rearrange.cpp vcs_util.cpp \
vcs_Exception.cpp vcs_report.cpp vcs_VolPhase.cpp \
vcs_linmaxc.cpp vcs_dbocls.c vcs_dbolsm.c vcs_dbols.c vcs_dvout.c \
vcs_dbocls.c vcs_dbolsm.c vcs_dbols.c vcs_dvout.c \
vcs_ivout.c vcs_dmout.c vcs_xerror.c
#BasisOptimize.cpp ChemEquil.cpp MultiPhase.cpp \
MultiPhaseEquil.cpp equilibrate.cpp vcs_equilibrate.cpp \
vcs_MultiPhaseEquil.cpp vcs_VolPhase.cpp \
vcs_DoubleStarStar.cpp vcs_prob.cpp \
vcs_SpeciesProperties.cpp vcs_MultiPhaseEquil.cpp \
vcs_species_thermo.cpp vcs_TP.cpp vcs_util.cpp \
vcs_VolPhase.cpp
AM_CPPFLAGS = -I$(top_builddir)/build/include
AM_CPPFLAGS = -I$(top_builddir)/include -I$(top_builddir)/ext/f2c_libs/
AM_CXXFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libequil.la
@@ -47,9 +27,3 @@ __top_builddir__build_lib_libequil_la_SOURCES = $(cc_sources) $(h_sources)
__top_builddir__build_lib_libequil_include_HEADERS = $(h_sources)
__top_builddir__build_lib_libequil_includedir = $(prefix)/include
# header file accumulation before install
all:
@echo copying headers $<
cp -p *.h $(top_builddir)/build/include/

34
src/fortran/Makefile.am Normal file
View File

@@ -0,0 +1,34 @@
cc_sources = fct.cpp fctxml.cpp
fc_sources = fct_interface.f90 fctxml_interface.f90 cantera_xml.f90 cantera_thermo.f90 \
cantera_kinetics.f90 cantera_transport.f90 cantera_iface.f90 \
cantera_funcs.f90 cantera.f90
h_sources =
INC = -I$(top_builddir)/include/ -I$(top_builddir)/src/
AM_CPPFLAGS = $(INC)
AM_CXXFLAGS = $(AM_CPPFLAGS)
AM_FCFLAGS = $(AM_CPPFLAGS)
LINK = -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo
LINK += -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lcvode
LINK += -lctlapack -lctblas -lctf2c -lctcxx -lm -lctf2c -lstdc++
AM_LDFLAGS = -L$(top_builddir)/build/lib/
lib_LTLIBRARIES = $(top_builddir)/build/lib/libfct.la
library_includedir = $(top_builddir)/build/include
library_include_HEADERS = $(h_sources)
#-----------------------
# Cantera Converters C/C++ library
#-----------------------
__top_builddir__build_lib_libfct_la_LDFLAGS = $(all_libraries) -release $(GENERIC_RELEASE)
__top_builddir__build_lib_libfct_la_SOURCES = $(cc_sources) $(fc_sources) $(h_sources)
__top_builddir__build_lib_libfct_include_HEADERS = $(h_sources)
__top_builddir__build_lib_libfct_includedir = $(prefix)/include
CLEANFILES = *.o

17
src/kinetics/Makefile.am
View File

@@ -1,18 +1,11 @@
h_sources = importKinetics.h GRI_30_Kinetics.h KineticsFactory.h \
Kinetics.h GasKinetics.h \
FalloffFactory.h ReactionStoichMgr.h reaction_defs.h \
FalloffMgr.h ThirdBodyMgr.h RateCoeffMgr.h ReactionData.h \
RxnRates.h Enhanced3BConc.h StoichManager.h solveSP.h \
AqueousKinetics.h InterfaceKinetics.h ImplicitSurfChem.h \
Group.h ReactionPath.h
h_sources =
cc_sources = importKinetics.cpp GRI_30_Kinetics.cpp KineticsFactory.cpp \
GasKinetics.cpp AqueousKinetics.cpp FalloffFactory.cpp \
ReactionStoichMgr.cpp Kinetics.cpp solveSP.cpp \
ReactionPath.cpp InterfaceKinetics.cpp ImplicitSurfChem.cpp \
Group.cpp
AM_CPPFLAGS = -I../numerics -I../thermo -I../base
AM_CPPFLAGS = -I$(top_builddir)/include
AM_CXXFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libkinetics.la
@@ -27,9 +20,3 @@ __top_builddir__build_lib_libkinetics_la_SOURCES = $(cc_sources) $(h_source
__top_builddir__build_lib_libkinetics_include_HEADERS = $(h_sources)
__top_builddir__build_lib_libkinetics_includedir = $(prefix)/include
# header file accumulation
all:
@echo copying headers $<
cp -p $(h_sources) $(top_builddir)/build/include/

16
src/numerics/Makefile.am
View File

@@ -1,13 +1,9 @@
h_sources = DenseMatrix.h funcs.h ctlapack.h Func1.h \
FuncEval.h polyfit.h BandMatrix.h Integrator.h \
DAE_Solver.h ResidEval.h sort.h SquareMatrix.h \
ResidJacEval.h NonlinearSolver.h
h_sources =
cc_sources = DenseMatrix.cpp funcs.cpp Func1.cpp ODE_integrators.cpp \
BandMatrix.cpp DAE_solvers.cpp sort.cpp CVodeInt.cpp \
BandMatrix.cpp DAE_solvers.cpp CVodeInt.cpp \
SquareMatrix.cpp ResidJacEval.cpp NonlinearSolver.cpp
AM_CPPFLAGS = -I$(top_builddir)/build/include/ -I$(top_builddir)
AM_CPPFLAGS = -I$(top_builddir)/include/ -I$(top_builddir)
AM_CXXFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libctnumerics.la
@@ -22,9 +18,3 @@ __top_builddir__build_lib_libctnumerics_la_SOURCES = $(cc_sources) $(h_sour
__top_builddir__build_lib_libctnumerics_include_HEADERS = $(h_sources)
__top_builddir__build_lib_libctnumerics_includedir = $(prefix)/include
# header file accumulation
all:
@echo copying headers $<
cp -p *.h $(top_builddir)/build/include/

13
src/oneD/Makefile.am
View File

@@ -1,11 +1,8 @@
cc_sources = MultiJac.cpp MultiNewton.cpp newton_utils.cpp OneDim.cpp \
StFlow.cpp boundaries1D.cpp refine.cpp Sim1D.cpp Domain1D.cpp
h_sources = Inlet1D.h MultiJac.h Sim1D.h StFlow.h \
Surf1D.h Domain1D.h MultiNewton.h OneDim.h \
Resid1D.h Solid1D.h refine.h
AM_CPPFLAGS = -I../base -I../thermo -I../kinetics -I../transport -I../numerics -I../../../
h_sources =
AM_CPPFLAGS = -I$(top_builddir)/include
AM_CXXFLAGS = $(AM_CPPFLAGS) -fPIC
lib_LTLIBRARIES = $(top_builddir)/build/lib/liboneD.la
@@ -20,9 +17,3 @@ __top_builddir__build_lib_liboneD_la_SOURCES = $(cc_sources) $(h_sources)
__top_builddir__build_lib_liboneD_include_HEADERS = $(h_sources)
__top_builddir__build_lib_liboneD_includedir = $(prefix)/include
# header file accumulation
all:
@echo copying headers $<
cp -p $(h_sources) $(top_builddir)/build/include/

12
src/spectra/Makefile.am
View File

@@ -1,9 +1,7 @@
h_sources = DiatomicMolecule.h LineBroadener.h Nuclei.h \
rotor.h spectralUtilities.h
h_sources =
cc_sources = LineBroadener.cpp rotor.cpp spectralUtilities.cpp
AM_CPPFLAGS = -I../base
AM_CPPFLAGS = -I$(top_builddir)/include
AM_CXXFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libctspectra.la
@@ -15,9 +13,3 @@ library_includedir = $(includedir)
__top_builddir__build_lib_libctspectra_la_LDFLAGS = $(all_libraries) -release $(GENERIC_RELEASE)
__top_builddir__build_lib_libctspectra_la_SOURCES = $(cc_sources) $(h_sources)
# header file accumulation
all:
@echo copying headers $<
cp -p $(h_sources) $(top_builddir)/build/include/

36
src/thermo/Makefile.am
View File

@@ -1,33 +1,10 @@
h_sources = State.h Elements.h Constituents.h Phase.h mix_defs.h \
ThermoPhase.h IdealGasPhase.h ConstDensityThermo.h \
SpeciesThermoFactory.h ThermoFactory.h \
NasaPoly1.h NasaPoly2.h NasaThermo.h Nasa9Poly1.h \
Nasa9PolyMultiTempRegion.h WaterPropsIAPWS.h \
ShomateThermo.h ShomatePoly.h ConstCpPoly.h \
SimpleThermo.h SpeciesThermoMgr.h \
SpeciesThermoInterpType.h VPSSMgr_Water_ConstVol.h \
GeneralSpeciesThermo.h Mu0Poly.h \
speciesThermoTypes.h SpeciesThermo.h SurfPhase.h \
EdgePhase.h IdealSolnGasVPSS.h MolalityVPSSTP.h \
VPSSMgr.h VPSSMgrFactory.h VPSSMgr_General.h \
VPSSMgr_IdealGas.h VPSSMgr_ConstVol.h PDSS_ConstVol.h \
PDSS_IdealGas.h PDSS_SSVol.h DebyeHuckel.h \
VPStandardStateTP.h PDSS_Water.h WaterProps.h \
WaterPropsIAPWSphi.h VPSSMgr_Water_HKFT.h PDSS_HKFT.h \
PDSS_IonsFromNeutral.h IonsFromNeutralVPSSTP.h \
GibbsExcessVPSSTP.h LatticePhase.h IdealMolalSoln.h \
PDSS.h HMWSoln.h WaterSSTP.h MetalSHEelectrons.h \
IdealSolidSolnPhase.h StoichSubstanceSSTP.h \
SingleSpeciesTP.h MineralEQ3.h PseudoBinaryVPSSTP.h \
MargulesVPSSTP.h StoichSubstance.h electrolytes.h \
PureFluidPhase.h LatticeSolidPhase.h
cc_sources = State.cpp Elements.cpp Constituents.cpp Phase.cpp \
h_sources =
cc_sources = Elements.cpp Phase.cpp \
ThermoPhase.cpp IdealGasPhase.cpp ConstDensityThermo.cpp \
SpeciesThermoFactory.cpp ConstCpPoly.cpp Nasa9Poly1.cpp \
Nasa9PolyMultiTempRegion.cpp PDSS_Water.cpp PDSS_HKFT.cpp \
Mu0Poly.cpp GeneralSpeciesThermo.cpp SurfPhase.cpp \
ThermoFactory.cpp phasereport.cpp SpeciesThermoInterpType.cpp \
ThermoFactory.cpp SpeciesThermoInterpType.cpp \
VPSSMgr.cpp VPSSMgrFactory.cpp VPSSMgr_General.cpp \
IdealSolnGasVPSS.cpp MolalityVPSSTP.cpp VPStandardStateTP.cpp \
VPSSMgr_IdealGas.cpp VPSSMgr_ConstVol.cpp PDSS_ConstVol.cpp \
@@ -43,7 +20,7 @@ cc_sources = State.cpp Elements.cpp Constituents.cpp Phase.cpp \
PseudoBinaryVPSSTP.cpp MargulesVPSSTP.cpp \
StoichSubstanceSSTP.cpp PureFluidPhase.cpp StoichSubstance.cpp
AM_CPPFLAGS = -I../base
AM_CPPFLAGS = -I$(top_builddir)/include
AM_CXXFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libthermo.la
@@ -58,8 +35,3 @@ __top_builddir__build_lib_libthermo_la_SOURCES = $(cc_sources) $(h_sources)
__top_builddir__build_lib_libthermo_include_HEADERS = $(h_sources)
__top_builddir__build_lib_libthermo_includedir = $(prefix)/include
# header file accumulation
all:
@echo copying headers $<
cp -p *.h $(top_builddir)/build/include/

14
src/tpx/Makefile.am
View File

@@ -1,10 +1,8 @@
h_sources = Methane.h Nitrogen.h Oxygen.h Water.h Hydrogen.h RedlichKwong.h \
CarbonDioxide.h Heptane.h lk.h Sub.h utils.h HFC134a.h
h_sources =
cc_sources = Methane.cpp Nitrogen.cpp Oxygen.cpp Water.cpp Hydrogen.cpp RedlichKwong.cpp \
CarbonDioxide.cpp Heptane.cpp lk.cpp Sub.cpp utils.cpp HFC134a.cpp
AM_CPPFLAGS =
AM_CPPFLAGS = -I$(top_builddir)/include
AM_CXXFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libtpx.la
@@ -20,11 +18,3 @@ __top_builddir__build_lib_libtpx_la_SOURCES = $(cc_sources) $(h_sources)
__top_builddir__build_lib_libtpx_include_HEADERS = $(h_sources)
__top_builddir__build_lib_libtpx_includedir = $(prefix)/include
CLEANFILES = *.o
# header file accumulation
all:
@echo copying headers $<
cp -p *.h $(top_builddir)/build/include/

17
src/transport/Makefile.am
View File

@@ -1,17 +1,10 @@
h_sources = AqueousTransport.h LiquidTransportData.h L_matrix.h \
MultiTransport.h TransportBase.h WaterTransport.h \
DustyGasTransport.h LiquidTransport.h MixTransport.h \
SimpleTransport.h TransportFactory.h FtnTransport.h \
LiquidTransportParams.h MMCollisionInt.h \
SolidTransport.h TransportParams.h
# WaterSSTP.h
h_sources =
cc_sources = AqueousTransport.cpp LiquidTransport.cpp MMCollisionInt.cpp \
SimpleTransport.cpp TransportBase.cpp WaterTransport.cpp \
DustyGasTransport.cpp MixTransport.cpp MultiTransport.cpp \
SolidTransport.cpp TransportFactory.cpp
AM_CPPFLAGS = -I../base -I../thermo -I../numerics
AM_CPPFLAGS = -I$(top_builddir)/include
AM_CXXFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libtransport.la
@@ -26,9 +19,3 @@ __top_builddir__build_lib_libtransport_la_SOURCES = $(cc_sources) $(h_sourc
__top_builddir__build_lib_libtransport_include_HEADERS = $(h_sources)
__top_builddir__build_lib_libtransport_includedir = $(prefix)/include
# header file accumulation
all:
@echo copying headers $<
cp -p *.h $(top_builddir)/build/include/

12
src/zeroD/Makefile.am
View File

@@ -1,12 +1,9 @@
h_sources = Reactor.h ReactorBase.h FlowDevice.h Wall.h ReactorNet.h \
flowControllers.h PID_Controller.h Reservoir.h FlowReactor.h \
ConstPressureReactor.h ReactorFactory.h
h_sources =
cc_sources = Reactor.cpp ReactorBase.cpp FlowDevice.cpp Wall.cpp \
ReactorNet.cpp FlowReactor.cpp ConstPressureReactor.cpp \
ReactorFactory.cpp
AM_CPPFLAGS = -I../base -I../thermo -I../kinetics -I../numerics
AM_CPPFLAGS = -I$(top_builddir)/include
AM_CXXFLAGS = $(AM_CPPFLAGS)
lib_LTLIBRARIES = $(top_builddir)/build/lib/libzeroD.la
@@ -21,8 +18,3 @@ __top_builddir__build_lib_libzeroD_la_SOURCES = $(cc_sources) $(h_sources)
__top_builddir__build_lib_libzeroD_include_HEADERS = $(h_sources)
__top_builddir__build_lib_libzeroD_includedir = $(prefix)/include
# header file accumulation
all:
@echo copying headers $<
cp -p $(h_sources) $(top_builddir)/build/include/

4
test_problems/Makefile.am
View File

@@ -4,7 +4,9 @@ SUBDIRS += ChemEquil_ionizedGas ChemEquil_red1 CpJump cxx_ex diamondSurf
SUBDIRS += diamondSurf_dupl fracCoeff multiGasTransport NASA9poly_test
SUBDIRS += negATest printUtilUnitTest pureFluidTest silane_equil
SUBDIRS += spectroscopy surfkin surfSolverTest VPsilane_test
SUBDIRS += VCSnonideal
SUBDIRS += VCSnonideal PecosTransport
#f77test
# skipped (uses ck2cti or python):
# ck2cti_test

26
test_problems/PecosTransport/Makefile.am Normal file
View File

@@ -0,0 +1,26 @@
cc_sources = PecosTransport.cpp
INC = -I. -I$(top_builddir)/build/include/ -g
AM_CPPFLAGS = $(INC)
AM_CXXFLAGS = $(AM_CPPFLAGS)
LINK = -lctcxx -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo
LINK += -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lcvode
LINK += -lctlapack -lctblas -lctf2c -lm -lstdc++
AM_LDFLAGS = -L$(top_builddir)/build/lib/
LIBS = $(LINK)
bin_PROGRAMS = PecosTransport
library_includedir = $(INC)
#-----------------------
# Cantera Pecos Transport test
#-----------------------
PecosTransport_SOURCES = $(cc_sources)
TESTS_ENVIRONMENT =
TESTS = runtest
EXTRA_DIST = runtest

252
test_problems/PecosTransport/PecosTransport.cpp Normal file
View File

@@ -0,0 +1,252 @@
/**
* @file PecosTransport.cpp
* test problem for pecos transport
* e.g. high speed reentry flows
* with reaction chemistry
*/
// Example
//
//
#include <iostream>
#include <string>
#include <vector>
#include <string>
#include <iomanip>
using namespace std;
#define MAX(x,y) (( (x) > (y) ) ? (x) : (y))
/*****************************************************************/
/*****************************************************************/
#include "Cantera.h"
#include "transport.h"
#include "IdealGasMix.h"
#include "TransportFactory.h"
using namespace Cantera;
using namespace Cantera_CXX;
void printDbl(double val) {
if (fabs(val) < 5.0E-17) {
cout << " nil";
} else {
cout << val;
}
}
int main(int argc, char** argv) {
int k;
string infile = "diamond.xml";
try {
IdealGasMix g("gri30.xml", "gri30_mix");
int nsp = g.nSpecies();
double pres = 1.0E5;
vector_fp Xset(nsp, 0.0);
Xset[0] = 0.269205 ;
Xset[1] = 0.000107082;
Xset[2] = 1.36377e-09 ;
Xset[3] = 4.35475e-10;
Xset[4] = 4.34036e-06 ;
Xset[5] = 0.192249;
Xset[6] = 3.59356e-13;
Xset[7] = 2.78061e-12 ;
Xset[8] = 4.7406e-18 ;
Xset[9] = 4.12955e-17 ;
Xset[10] = 2.58549e-14 ;
Xset[11] = 8.96502e-16 ;
Xset[12] = 6.09056e-11 ;
Xset[13] = 7.56752e-09 ;
Xset[14] = 0.192253;
Xset[15] = 0.0385036;
Xset[16] = 1.49596e-08 ;
Xset[17] = 2.22378e-08 ;
Xset[18] = 1.43096e-13 ;
Xset[19] = 1.45312e-15 ;
Xset[20] = 1.96948e-12 ;
Xset[21] = 8.41937e-19;
Xset[22] = 3.18852e-13 ;
Xset[23] = 7.93625e-18 ;
Xset[24] = 3.20653e-15 ;
Xset[25] = 1.15149e-19 ;
Xset[26] = 1.61189e-18 ;
Xset[27] = 1.4719e-15 ;
Xset[28] = 5.24728e-13 ;
Xset[29] = 6.90582e-17 ;
Xset[30] = 6.37248e-12 ;
Xset[31] =5.93728e-11 ;
Xset[32] = 2.71219e-09 ;
Xset[33] = 2.66645e-06 ;
Xset[34] = 6.57142e-11 ;
Xset[35] = 9.52453e-08 ;
Xset[36] = 1.26006e-14;
Xset[37] = 3.49802e-12;
Xset[38] = 1.19232e-11 ;
Xset[39] = 7.17782e-13 ;
Xset[40] = 1.85347e-07 ;
Xset[41] = 8.25325e-14 ;
Xset[42] = 5.00914e-20 ;
Xset[43] = 1.54407e-16 ;
Xset[44] =3.07176e-11 ;
Xset[45] =4.93198e-08 ;
Xset[46] =4.84792e-12 ;
Xset[47] = 0.307675 ;
Xset[48] =0;
Xset[49] =6.21649e-29;
Xset[50] = 8.42393e-28 ;
Xset[51] = 6.77865e-18;
Xset[52] = 2.19225e-16;
double T1 = 1500.;
double sum = 0.0;
for (k = 0; k < nsp; k++) {
sum += Xset[k];
}
for (k = 0; k < nsp; k++) {
Xset[k] /= sum;
}
vector_fp X2set(nsp, 0.0);
X2set[0] = 0.25 ;
X2set[5] = 0.17;
X2set[14] = 0.15;
X2set[15] = 0.05;
X2set[47] = 0.38 ;
double T2 = 1200.;
double dist = 0.1;
vector_fp X3set(nsp, 0.0);
X3set[0] = 0.27 ;
X3set[5] = 0.15;
X3set[14] = 0.18;
X3set[15] = 0.06;
X3set[47] = 0.36 ;
double T3 = 1400.;
vector_fp grad_T(3, 0.0);
Array2D grad_X(nsp, 2, 0.0);
for( k = 0; k < nsp; k++) {
grad_X(k,0) = (X2set[k] - Xset[k])/dist;
grad_X(k,1) = (X3set[k] - Xset[k])/dist;
}
grad_T[0] = (T2 - T1) / dist;
grad_T[1] = (T3 - T1) / dist;
int log_level = 0;
Transport * tran = newTransportMgr("Pecos", &g, log_level=0);
PecosTransport * tranMix = dynamic_cast<PecosTransport *>(tran);
g.setState_TPX(1500.0, pres, DATA_PTR(Xset));
vector_fp mixDiffs(nsp, 0.0);
tranMix->getMixDiffCoeffs(DATA_PTR(mixDiffs));
printf(" Dump of the mixture Diffusivities:\n");
for (k = 0; k < nsp; k++) {
string sss = g.speciesName(k);
printf(" %15s %13.5g\n", sss.c_str(), mixDiffs[k]);
}
vector_fp specVisc(nsp, 0.0);
tranMix->getSpeciesViscosities(DATA_PTR(specVisc));
printf(" Dump of the species viscosities:\n");
for (k = 0; k < nsp; k++) {
string sss = g.speciesName(k);
printf(" %15s %13.5g\n", sss.c_str(), specVisc[k]);
}
vector_fp thermDiff(nsp, 0.0);
tranMix->getThermalDiffCoeffs(DATA_PTR(thermDiff));
printf(" Dump of the Thermal Diffusivities :\n");
for (k = 0; k < nsp; k++) {
string sss = g.speciesName(k);
printf(" %15s %13.5g\n", sss.c_str(), thermDiff[k]);
}
printf("Viscoscity and thermal Cond vs. T\n");
for (k = 0; k < 10; k++) {
T1 = 400. + 100. * k;
g.setState_TPX(T1, pres, DATA_PTR(Xset));
double visc = tran->viscosity();
double cond = tran->thermalConductivity();
printf(" %13g %13.5g %13.5g\n", T1, visc, cond);
}
g.setState_TPX(T1, pres, DATA_PTR(Xset));
Array2D Bdiff(nsp, nsp, 0.0);
printf("Binary Diffusion Coefficients H2 vs species\n");
tranMix->getBinaryDiffCoeffs(nsp, Bdiff.ptrColumn(0));
for (k = 0; k < nsp; k++) {
string sss = g.speciesName(k);
printf(" H2 - %15s %13.5g %13.5g\n", sss.c_str(), Bdiff(0,k), Bdiff(k,0));
}
vector_fp specMob(nsp, 0.0);
tranMix->getMobilities(DATA_PTR(specMob));
printf(" Dump of the species mobilities:\n");
for (k = 0; k < nsp; k++) {
string sss = g.speciesName(k);
printf(" %15s %13.5g\n", sss.c_str(), specMob[k]);
}
Array2D fluxes(nsp, 2, 0.0);
tranMix->getSpeciesFluxes(2, DATA_PTR(grad_T), nsp,
grad_X.ptrColumn(0), nsp, fluxes.ptrColumn(0));
printf(" Dump of the species fluxes:\n");
double sum1 = 0.0;
double sum2 = 0.0;
double max1 = 0.0;
double max2 = 0.0;
for (k = 0; k < nsp; k++) {
string sss = g.speciesName(k);
printf(" %15s %13.5g %13.5g\n", sss.c_str(), fluxes(k,0), fluxes(k,1));
sum1 += fluxes(k,0);
if (fabs(fluxes(k,0)) > max1) {
max1 = fabs(fluxes(k,0));
}
sum2 += fluxes(k,1);
if (fabs(fluxes(k,1)) > max2) {
max2 = fabs(fluxes(k,0));
}
}
// Make sure roundoff error doesn't interfere with the printout.
// these should be zero.
if (fabs(sum1) * 1.0E14 > max1) {
printf("sum in x direction = %13.5g\n", sum1);
} else {
printf("sum in x direction = 0\n");
}
if (fabs(sum2) * 1.0E14 > max2) {
printf("sum in y direction = %13.5g\n", sum1);
} else {
printf("sum in y direction = 0\n");
}
}
catch (CanteraError) {
showErrors(cout);
}
return 0;
}
/***********************************************************/

6173
test_problems/PecosTransport/gri30.xml Normal file
View File

File diff suppressed because it is too large Load Diff

337
test_problems/PecosTransport/output_blessed.txt Normal file
View File

@@ -0,0 +1,337 @@
Dump of the mixture Diffusivities:
H2 0.0016117
H 0.0022586
O 0.00064032
O2 0.00042264
OH 0.00062946
H2O 0.00055526
HO2 0.00042019
H2O2 0.00041763
C 0.00059188
CH 0.00068026
CH2 0.0004608
CH2(S) 0.0004608
CH3 0.00045156
CH4 0.00044985
CO 0.00040272
CO2 0.0003319
HCO 0.00036192
CH2O 0.00035926
CH2OH 0.00035027
CH3O 0.00035027
CH3OH 0.00035149
C2H 0.0003524
C2H2 0.00034919
C2H3 0.00034618
C2H4 0.00034633
C2H5 0.00031771
C2H6 0.00031538
HCCO 0.00053082
CH2CO 0.00030634
HCCOH 0.00030634
N 0.00056491
NH 0.00067404
NH2 0.00066041
NH3 0.00050222
NNH 0.00040495
NO 0.00041226
NO2 0.00037026
N2O 0.00033509
HNO 0.00041903
CN 0.00040648
HCN 0.00035852
H2CN 0.00035559
HCNN 0.00053081
HCNO 0.00033642
HOCN 0.00033642
HNCO 0.00033642
NCO 0.00033783
N2 0.00039204
AR 0.00041248
C3H7 0.00024676
C3H8 0.00024577
CH2CHO 0.00030507
CH3CHO 0.00030384
Dump of the species viscosities:
H2 2.5558e-05
H 3.012e-05
O 7.2846e-05
O2 6.232e-05
OH 7.5106e-05
H2O 5.3252e-05
HO2 6.3294e-05
H2O2 6.4253e-05
C 4.4565e-05
CH 6.5712e-05
CH2 3.2735e-05
CH2(S) 3.2735e-05
CH3 3.3891e-05
CH4 3.6048e-05
CO 5.31e-05
CO2 5.4383e-05
HCO 4.1657e-05
CH2O 4.2374e-05
CH2OH 4.1945e-05
CH3O 4.1945e-05
CH3OH 4.3184e-05
C2H 3.5412e-05
C2H2 3.6118e-05
C2H3 3.6811e-05
C2H4 3.7975e-05
C2H5 3.3591e-05
C2H6 3.4169e-05
HCCO 0.00012854
CH2CO 4.2391e-05
HCCOH 4.2391e-05
N 4.8126e-05
NH 7.5995e-05
NH2 7.8505e-05
NH3 4.7175e-05
NNH 5.2243e-05
NO 5.5922e-05
NO2 6.636e-05
N2O 5.2858e-05
HNO 5.9564e-05
CN 4.7597e-05
HCN 3.7899e-05
H2CN 3.86e-05
HCNN 0.00012855
HCNO 5.2262e-05
HOCN 5.2262e-05
HNCO 5.2262e-05
NCO 5.1646e-05
N2 5.4033e-05
AR 7.2525e-05
C3H7 3.0191e-05
C3H8 3.0542e-05
CH2CHO 4.2896e-05
CH3CHO 4.3395e-05
Dump of the Thermal Diffusivities :
H2 0
H 0
O 0
O2 0
OH 0
H2O 0
HO2 0
H2O2 0
C 0
CH 0
CH2 0
CH2(S) 0
CH3 0
CH4 0
CO 0
CO2 0
HCO 0
CH2O 0
CH2OH 0
CH3O 0
CH3OH 0
C2H 0
C2H2 0
C2H3 0
C2H4 0
C2H5 0
C2H6 0
HCCO 0
CH2CO 0
HCCOH 0
N 0
NH 0
NH2 0
NH3 0
NNH 0
NO 0
NO2 0
N2O 0
HNO 0
CN 0
HCN 0
H2CN 0
HCNN 0
HCNO 0
HOCN 0
HNCO 0
NCO 0
N2 0
AR 0
C3H7 0
C3H8 0
CH2CHO 0
CH3CHO 0
Viscoscity and thermal Cond vs. T
400 1.9759e-05 0.064074
500 2.3573e-05 0.076325
600 2.7136e-05 0.088306
700 3.0495e-05 0.10018
800 3.3685e-05 0.11201
900 3.6732e-05 0.12378
1000 3.9656e-05 0.13549
1100 4.2474e-05 0.14712
1200 4.5198e-05 0.15867
1300 4.7839e-05 0.17011
Binary Diffusion Coefficients H2 vs species
H2 - H2 0.0016879 0.0016879
H2 - H 0.0025721 0.0025721
H2 - O 0.0012683 0.0012683
H2 - O2 0.00095123 0.00095123
H2 - OH 0.0012641 0.0012641
H2 - H2O 0.0011339 0.0011339
H2 - HO2 0.00095037 0.00095037
H2 - H2O2 0.00094956 0.00094956
H2 - C 0.0010829 0.0010829
H2 - CH 0.0012845 0.0012845
H2 - CH2 0.00086916 0.00086916
H2 - CH2(S) 0.00086916 0.00086916
H2 - CH3 0.00086549 0.00086549
H2 - CH4 0.0008765 0.0008765
H2 - CO 0.00090717 0.00090717
H2 - CO2 0.00080661 0.00080661
H2 - HCO 0.00080995 0.00080995
H2 - CH2O 0.00080907 0.00080907
H2 - CH2OH 0.00079571 0.00079571
H2 - CH3O 0.00079571 0.00079571
H2 - CH3OH 0.00079986 0.00079986
H2 - C2H 0.00075165 0.00075165
H2 - C2H2 0.00075057 0.00075057
H2 - C2H3 0.00074956 0.00074956
H2 - C2H4 0.00075894 0.00075894
H2 - C2H5 0.00069633 0.00069633
H2 - C2H6 0.00069557 0.00069557
H2 - HCCO 0.0012756 0.0012756
H2 - CH2CO 0.00072381 0.00072381
H2 - HCCOH 0.00072381 0.00072381
H2 - N 0.0010717 0.0010717
H2 - NH 0.0013191 0.0013191
H2 - NH2 0.0013142 0.0013142
H2 - NH3 0.001032 0.001032
H2 - NNH 0.00088778 0.00088778
H2 - NO 0.00091388 0.00091388
H2 - NO2 0.00088641 0.00088641
H2 - N2O 0.00079306 0.00079306
H2 - HNO 0.00093712 0.00093712
H2 - CN 0.00087207 0.00087207
H2 - HCN 0.00079297 0.00079297
H2 - H2CN 0.00079198 0.00079198
H2 - HCNN 0.0012756 0.0012756
H2 - HCNO 0.00079346 0.00079346
H2 - HOCN 0.00079346 0.00079346
H2 - HNCO 0.00079346 0.00079346
H2 - NCO 0.00079388 0.00079388
H2 - N2 0.00091593 0.00091593
H2 - AR 0.00096701 0.00096701
H2 - C3H7 0.00057286 0.00057286
H2 - C3H8 0.00057256 0.00057256
H2 - CH2CHO 0.00072342 0.00072342
H2 - CH3CHO 0.00072305 0.00072305
Dump of the species mobilities:
H2 0
H 0
O 0
O2 0
OH 0
H2O 0
HO2 0
H2O2 0
C 0
CH 0
CH2 0
CH2(S) 0
CH3 0
CH4 0
CO 0
CO2 0
HCO 0
CH2O 0
CH2OH 0
CH3O 0
CH3OH 0
C2H 0
C2H2 0
C2H3 0
C2H4 0
C2H5 0
C2H6 0
HCCO 0
CH2CO 0
HCCOH 0
N 0
NH 0
NH2 0
NH3 0
NNH 0
NO 0
NO2 0
N2O 0
HNO 0
CN 0
HCN 0
H2CN 0
HCNN 0
HCNO 0
HOCN 0
HNCO 0
NCO 0
N2 0
AR 0
C3H7 0
C3H8 0
CH2CHO 0
CH3CHO 0
Dump of the species fluxes:
H2 4.9545e-06 4.7567e-07
H 1.7837e-08 1.789e-08
O 1.0349e-12 1.0455e-12
O2 4.3943e-13 4.4615e-13
OH 3.4428e-09 3.4784e-09
H2O 1.8709e-05 3.4889e-05
HO2 3.7201e-16 3.7773e-16
H2O2 2.9488e-15 2.9944e-15
C 2.4999e-21 2.5274e-21
CH 2.7066e-20 2.7325e-20
CH2 1.244e-17 1.2614e-17
CH2(S) 4.3133e-19 4.374e-19
CH3 3.0793e-14 3.1235e-14
CH4 4.0663e-12 4.1249e-12
CO 3.8712e-05 1.6658e-05
CO2 -1.0949e-05 -2.0749e-05
HCO 1.1703e-11 1.1913e-11
CH2O 1.7873e-11 1.8195e-11
CH2OH 1.1592e-16 1.1806e-16
CH3O 1.1772e-18 1.1989e-18
CH3OH 1.654e-15 1.6844e-15
C2H 5.5585e-22 5.6602e-22
C2H2 2.1704e-16 2.2105e-16
C2H3 5.5644e-21 5.668e-21
C2H4 2.3304e-18 2.3738e-18
C2H5 7.9768e-23 8.1382e-23
C2H6 1.1471e-21 1.1705e-21
HCCO 2.3793e-18 2.4084e-18
CH2CO 5.0625e-16 5.1689e-16
HCCOH 6.6627e-20 6.8027e-20
N 3.7434e-15 3.7864e-15
NH 4.4475e-14 4.4905e-14
NH2 2.1232e-12 2.1442e-12
NH3 1.6825e-09 1.7044e-09
NNH 5.7734e-14 5.8654e-14
NO 8.7981e-11 8.9359e-11
NO2 1.6047e-17 1.6326e-17
N2O 3.8657e-15 3.94e-15
HNO 1.1565e-14 1.1743e-14
CN 5.674e-16 5.7641e-16
HCN 1.3369e-10 1.3611e-10
H2CN 6.1261e-17 6.2377e-17
HCNN 8.0976e-23 8.1968e-23
HCNO 1.6745e-19 1.7065e-19
HOCN 3.3312e-14 3.395e-14
HNCO 5.3485e-11 5.4509e-11
NCO 5.1551e-15 5.2534e-15
N2 -5.1449e-05 -3.1297e-05
AR 0 0
C3H7 5.0022e-32 5.1314e-32
C3H8 6.9103e-31 7.0895e-31
CH2CHO 6.6698e-21 6.8105e-21
CH3CHO 2.199e-19 2.2455e-19
sum in x direction = 0
sum in y direction = 0

36
test_problems/PecosTransport/runtest Executable file
View File

@@ -0,0 +1,36 @@
#!/bin/sh
#
#
temp_success="1"
/bin/rm -f output.txt outputa.txt
tname="PecosTransport"
#################################################################
#
#################################################################
CANTERA_DATA=${CANTERA_DATA:=../../data/inputs}; export CANTERA_DATA
CANTERA_BIN=${CANTERA_BIN:=../../bin}
./PecosTransport > output.txt
retnStat=$?
if [ $retnStat != "0" ]
then
temp_success="0"
echo "$tname ($tname test) returned with bad status, $retnStat, check output"
exit 1
fi
../../bin/exp3to2.sh output.txt > outputa.txt
diff -w outputa.txt output_blessed.txt > diff_test.out
retnStat=$?
if [ $retnStat = "0" ]
then
echo "successful diff comparison on $tname test"
exit 0
else
echo "unsuccessful diff comparison on $tname test"
echo "FAILED" > csvCode.txt
temp_success="0"
exit 1
fi

10
test_problems/cathermo/DH_graph_1/Makefile.am
View File

@@ -1,10 +1,9 @@
cc_sources = DH_graph_1.cpp
INC = -I. -I$(top_builddir)/build/include/
INC = -I. -I$(top_builddir)/include/ -I$(top_builddir)/test_problems/shared
AM_CPPFLAGS = $(INC)
AM_CXXFLAGS = $(AM_CPPFLAGS)
LINK = -lctcxx -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo
#LINK = -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo
LINK = -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo
LINK += -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lcvode
LINK += -lctlapack -lctblas -lctf2c -lm -lstdc++
AM_LDFLAGS = -L$(top_builddir)/build/lib/
@@ -17,8 +16,7 @@ library_includedir = $(INC)
# Cantera DH graph test
#-----------------------
DH_graph_1_SOURCES = $(cc_sources)
DH_graph_1_SOURCES = DH_graph_1.cpp
TESTS_ENVIRONMENT =
TESTS = runtest