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15 changes: 9 additions & 6 deletions Source/chem.f90
Original file line number Diff line number Diff line change
Expand Up @@ -39,7 +39,7 @@ MODULE CVODE_INTERFACE
!> \param TN_C is the current time
!> \param SUNVEC_Y is the current array of molar concentrations, temperature and pressure.
!> \param SUNVEC_F is the array of derivatives returned
!> \param USER_DATA is the user data array. Not yet used in FDS.
!> \param C_USER_DATA is the user data array. Hold unburned zone data for mixing+chem.
!> \details The right hand side function of the ode d[c]/dt = wdot (=f). Provides the Derivative function to CVODE.
INTEGER(C_INT) FUNCTION RHSFN(TN_C, SUNVEC_Y, SUNVEC_F, C_USER_DATA) &
RESULT(IERR) BIND(C,NAME='RHSFN')
Expand Down Expand Up @@ -86,7 +86,7 @@ END FUNCTION RHSFN
!> \param CVEC is the current array of molar concentrations, temperature and pressure.
!> \param FVEC is the array of derivatives returned
!> \param TN is the current time
!> \param USER_DATA is the user data containing mixing information
!> \param USER_DATA is the user data array. Hold unburned zone data for mixing+chem.

SUBROUTINE DERIVATIVE(CVEC,FVEC, TN, USER_DATA)
USE PHYSICAL_FUNCTIONS, ONLY : GET_SPECIFIC_HEAT_INTERP, GET_ENTHALPY, GET_ENTHALPY_Z, &
Expand Down Expand Up @@ -258,7 +258,7 @@ END FUNCTION CALCFCENT
!> \param SUNVEC_Y is the current array of molar concentrations, temperature and pressure.
!> \param SUNVEC_F is the array of derivatives returned
!> \param SUNMAT_J is the Jacobian array returned to CVODE
!> \param USER_DATA is the user data array. Not yet used in FDS.
!> \param C_USER_DATA is the user data array. Hold unburned zone data for mixing+chem.
!> \param TMP1 is not yet used in FDS.
!> \param TMP2 is not yet used in FDS.
!> \param TMP3 is not yet used in FDS.
Expand Down Expand Up @@ -328,6 +328,8 @@ END FUNCTION JACFN
!> \param CVEC is the current array of molar concentrations, temperature and pressure.
!> \param FVEC is the array of derivatives passed as input
!> \param JMAT is the jacobian matrix returned
!> \param TN is the current time provided by CVODE during callback, not the actual CFD time.
!> \param USER_DATA is the user data array. Hold unburned zone data for mixing+chem.

SUBROUTINE JACOBIAN(CVEC,FVEC,JMAT,TN,USER_DATA)

Expand Down Expand Up @@ -779,10 +781,11 @@ END FUNCTION DDTMP_TROE


!> \brief cvode interface for ODE integrator. Call sundials cvode in serial mode.
!> \param CC species mass fraction array
!> \param TMP_IN is the temperature
!> \param CC species concentration (kmol/m3) array
!> \param ZZ_0 initial species mass fraction array (of the unbuned zone),needed for mixing+chem
!> \param TMP_IN is the temperature of the cell (unburned zone)
!> \param PR_IN is the pressure
!> \param ZETA0 is the initial unmixed fraction
!> \param ZETA0 is the initial unmixed fraction
!> \param TAU_MIX is Mixing timescale
!> \param CELL_MASS total mass of the cell (mixed + unmixed)
!> \param TCUR is the start time in seconds
Expand Down
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