initial import

Cantera/fortran/f77demos/README.txt

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+
+This directory contains examples of Fortran 77 programs that use
+Cantera. The programs are:
+
+ctlib          An example showing how to write subroutines that emulate those
+               of the Chemkin CKLIB library.
+
+isentropic     Mach number vs. area ratio for isentropic flow.
+

Cantera/fortran/f77demos/ctlib.f

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+c
+c     This example shows how to implement subroutines that emulate those
+c     of the Chemkin CKLIB library. This may be useful to port an
+c     existing Chemkin-based application to Cantera. As shown here, the
+c     subroutine names begin with 'ct' instead of 'ck', so that Cantera
+c     and CKLIB subroutines can be both used in an application, if
+c     desired. It is also possible to rename these subroutines with the
+c     'ck' prefix if the application is not linked to the Chemkin CKLIB
+c     library. In this case, application programs do not need to be
+c     modified or recompiled - they only need to be relinked.
+c
+c     Only a few subroutines are implemented here, but the same idea can
+c     be applied to create Cantera-based versions of any other
+c     subroutines in the CKLIB library.
+c
+
+c-----------------------------------------------------------------------
+c     example driver program
+
+      program ctck
+      implicit double precision (a-h,o-z)
+      double precision rckwrk(1)
+      integer ickwrk(1)
+      parameter (MAXSP = 100)
+      double precision y(MAXSP), wdot(MAXSP)
+
+c     Read in the reaction mechanism. Since this is done differently
+c     than in Chemkin, this function does not correspond to any CKLIB
+c     subroutine. 
+      call newIdealGasMix('gri30.cti','gri30','')
+
+c     get the number of elements, species, and reactions
+      call ctindx(ickwrk, rckwrk, mm, kk, ii)
+
+      do k = 1, kk
+         y(k) = 1.0/kk
+      end do
+
+c     compute the net production rates in cgs units
+      p = 1.0d6
+      t = 2500.0d0
+      
+      call ctwyp(p, t, y, ickwrk, rckwrk, wdot)
+      do k = 1, kk
+         write(*,*) k, y(k), wdot(k)
+      end do
+
+      stop
+      end
+
+c----------------------------------------------------------------------
+c
+c     The subroutines below emulate ones in the Chemkin CKLIB
+c     library. They are implemented in terms of the procedures in
+c     demo_ftnlib. It would also be possible to rewrite demo_ftnlib to
+c     implement a Chemkin-like interface directly. Note that the arrays
+c     ickwrk and rckwrk are passed in for consistency with the Chemkin
+c     interface specification, but the are not used. These may simply be
+c     dummy arrays, as in the main program above.
+c
+
+c     CTINDX: get the number of elements, species, and reactions
+
+      subroutine ctindx(ickwrk, rckwrk, mm, kk, ii)
+      implicit double precision (a-h,o-z)
+      mm = nElements()
+      kk = nSpecies()
+      ii = nReactions()
+      return
+      end
+
+
+c     CTWYP: get the net molar production rates, given the pressure,
+c     temperature, and array of mass fractions.
+
+      subroutine ctwyp(p,t,y,ickwrk,rckwrk,wdot)
+      implicit double precision (a-h,o-z)
+      double precision y(*), rckwrk(*), wdot(*)
+      integer ickwrk(*)
+      
+c     set the state
+      psi = 0.1*p
+      call setState_TPY(t, psi, y)
+
+c     get the net production rates
+      call getNetProductionRates(wdot)
+
+c     convert SI -> cgs
+      nsp = nSpecies()
+      do k = 1, nsp
+         wdot(k) = 1.0d3*wdot(k)
+      end do
+      return
+      end
+

Cantera/fortran/f77demos/f77demos.mak.in

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+#!/bin/sh
+
+
+# the name of the executable program to be created
+PROG_NAME = demo
+
+# the object files to be linked together. 
+OBJS = demo.o demo_ftnlib.o
+
+# additional flags to be passed to the linker. If your program
+# requires other external libraries, put them here
+LINK_OPTIONS = 
+
+#---------------------------------------------------------------------------
+# You probably don't need to edit anything below.
+
+
+# the Fortran compiler
+FORT = @F77@
+
+# Fortran compile flags  
+FORT_FLAGS = @FFLAGS@ 
+
+# Fortran libraries
+FORT_LIBS = @FLIBS@
+
+# the C++ compiler
+CXX = @CXX@
+
+# C++ compile flags
+CXX_FLAGS = @CXXFLAGS@
+
+# external libraries
+EXT_LIBS = @LOCAL_LIBS@ -lctcxx
+
+# the directory where the Cantera libraries are located
+CANTERA_LIBDIR=@CANTERA_LIBDIR@
+
+# the directory where Cantera include files may be found.
+CANTERA_INCDIR=@CANTERA_INCDIR@
+
+# flags passed to the C++ compiler/linker for the linking step
+LCXX_FLAGS = -L$(CANTERA_LIBDIR) @CXXFLAGS@
+
+# how to compile C++ source files to object files
+.@CXX_EXT@.@OBJ_EXT@:
+	$(CXX) -c $< -I$(CANTERA_INCDIR) $(CXX_FLAGS)
+
+# how to compile Fortran source files to object files
+.@F77_EXT@.@OBJ_EXT@: 
+	$(FORT) -c $< $(FORT_FLAGS)
+
+PROGRAM = $(PROG_NAME)$(EXE_EXT)
+
+DEPENDS = $(OBJS:.o=.d)
+
+all: isentropic ctlib 
+
+isentropic: isentropic.o demo_ftnlib.o
+	$(CXX) -o isentropic isentropic.o demo_ftnlib.o $(LCXX_FLAGS) $(CANTERA_LIBS) $(LINK_OPTIONS) $(EXT_LIBS) @LIBS@ $(FORT_LIBS)
+
+ctlib: ctlib.o demo_ftnlib.o
+	$(CXX) -o ctlib ctlib.o demo_ftnlib.o $(LCXX_FLAGS) $(CANTERA_LIBS) $(LINK_OPTIONS) $(EXT_LIBS) @LIBS@ $(FORT_LIBS)
+
+%.d:
+	g++ -MM $*.cpp > $*.d
+
+clean:
+	$(RM) $(OBJS) $(PROGRAM)
+
+depends: $(DEPENDS)
+	cat *.d > .depends
+	$(RM) $(DEPENDS) 
+
+TAGS: 
+	etags *.h *.cpp
+
+ifeq ($(wildcard .depends), .depends)
+include .depends
+endif
+
+
+
+
+
+

Cantera/fortran/f77demos/isentropic.f

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+c
+c     Mach number vs. area for an isentropic flow.  See also the Python
+c     version of this problem in the Python demos.
+c
+      program isentropic
+      implicit double precision (a-h,o-z)
+      parameter (oneatm = 1.01325d5, NPTS = 200)
+      double precision a(NPTS), dmach(NPTS), t(NPTS),
+     $     ratio(NPTS)
+      
+      call newIdealGasMix('gri30.cti','gri30','')
+      temp = 1200.d0
+      pres = 10.d0*oneatm
+      call setState_TPX_String(temp, pres,'H2:1, N2:0.1')
+
+c     stagnation state properties
+      s0 = entropy_mass()
+      h0 = enthalpy_mass()
+      p0 = pressure()
+
+      dmdot = 1.0d0
+      amin = 1.0d14
+
+      do n = 1, NPTS
+         p = p0*n/(NPTS+1)
+         call setState_SP(s0,p)
+         h = enthalpy_mass()
+         rho = density()
+
+         v2 = 2.0*(h0 - h)
+         v = sqrt(v2)
+         area = dmdot/(rho*v)
+         if (area .lt. amin) then
+            amin = area
+         end if
+
+         a(n) = area
+         dmach(n) = v/soundspeed()
+         t(n) = temperature()
+         ratio(n) = p/p0
+      end do
+
+      do n = 1, NPTS
+         a(n) = a(n)/amin
+         write(*,30) a(n), dmach(n), t(n), ratio(n)
+ 30      format(4e16.5)
+      end do
+      stop
+      end
+
+
+      double precision function soundspeed()
+      implicit double precision (a-h,o-z)
+      double precision meanMolarMass
+      parameter (R = 8314.3d0)
+      gamma = cp_mass()/cv_mass()
+      soundspeed = sqrt(gamma * R * temperature()
+     $     / meanMolarMass())
+      return
+      end
+
+     
+