mirror of
https://github.com/Cantera/cantera.git
synced 2026-08-19 01:14:44 -05:00
Ray Speth
da85e3138e
Some compilers (including Flang) output the message:
"Warning: ieee_inexact is signaling"
when running the Fortran sample programs. This output is a consequence of
F2003 standard compliance by some compilers, and can be avoided by letting
the program exit normally rather than using the 'stop' statement.
96 lines
3.0 KiB
FortranFixed
96 lines
3.0 KiB
FortranFixed
c
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c This example shows how to implement subroutines that emulate those
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c of the Chemkin CKLIB library. This may be useful to port an
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c existing Chemkin-based application to Cantera. As shown here, the
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c subroutine names begin with 'ct' instead of 'ck', so that Cantera
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c and CKLIB subroutines can be both used in an application, if
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c desired. It is also possible to rename these subroutines with the
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c 'ck' prefix if the application is not linked to the Chemkin CKLIB
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c library. In this case, application programs do not need to be
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c modified or recompiled - they only need to be relinked.
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c
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c Only a few subroutines are implemented here, but the same idea can
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c be applied to create Cantera-based versions of any other
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c subroutines in the CKLIB library.
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c
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c-----------------------------------------------------------------------
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c example driver program
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program ctck
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implicit double precision (a-h,o-z)
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double precision rckwrk(1)
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integer ickwrk(1)
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parameter (MAXSP = 100)
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double precision y(MAXSP), wdot(MAXSP)
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c Read in the reaction mechanism. Since this is done differently
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c than in Chemkin, this function does not correspond to any CKLIB
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c subroutine.
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call newIdealGasMix('gri30.yaml','gri30','')
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c get the number of elements, species, and reactions
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call ctindx(ickwrk, rckwrk, mm, kk, ii)
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do k = 1, kk
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y(k) = 1.0/kk
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end do
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c compute the net production rates in cgs units
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p = 1.0d6
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t = 2500.0d0
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call ctwyp(p, t, y, ickwrk, rckwrk, wdot)
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do k = 1, kk
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write(*,*) k, y(k), wdot(k)
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end do
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end
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c----------------------------------------------------------------------
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c
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c The subroutines below emulate ones in the Chemkin CKLIB
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c library. They are implemented in terms of the procedures in
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c demo_ftnlib. It would also be possible to rewrite demo_ftnlib to
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c implement a Chemkin-like interface directly. Note that the arrays
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c ickwrk and rckwrk are passed in for consistency with the Chemkin
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c interface specification, but the are not used. These may simply be
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c dummy arrays, as in the main program above.
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c
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c CTINDX: get the number of elements, species, and reactions
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subroutine ctindx(ickwrk, rckwrk, mm, kk, ii)
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implicit double precision (a-h,o-z)
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integer ickwrk(*)
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double precision rckwrk(*)
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mm = nElements()
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kk = nSpecies()
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ii = nReactions()
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return
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end
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c CTWYP: get the net molar production rates, given the pressure,
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c temperature, and array of mass fractions.
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subroutine ctwyp(p,t,y,ickwrk,rckwrk,wdot)
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implicit double precision (a-h,o-z)
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double precision y(*), rckwrk(*), wdot(*)
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integer ickwrk(*)
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c set the state
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psi = 0.1*p
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call setState_TPY(t, psi, y)
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c get the net production rates
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call getNetProductionRates(wdot)
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c convert SI -> cgs
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nsp = nSpecies()
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do k = 1, nsp
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wdot(k) = 1.0d3*wdot(k)
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end do
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return
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end
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