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MODULE MASS

! Compute the mass equation differences

USE PRECISION_PARAMETERS
USE MESH_POINTERS

IMPLICIT NONE
PRIVATE
CHARACTER(255), PARAMETER :: massid='$Id$'
CHARACTER(255), PARAMETER :: massrev='$Revision$'
CHARACTER(255), PARAMETER :: massdate='$Date$'

REAL(EB), POINTER, DIMENSION(:,:,:,:) :: YYP
REAL(EB), POINTER, DIMENSION(:,:,:) :: UU,VV,WW,RHOP,DP

PUBLIC MASS_FINITE_DIFFERENCES,DENSITY,GET_REV_mass,SCALARF,DENSITY_TVD


CONTAINS

SUBROUTINE MASS_FINITE_DIFFERENCES(NM)
USE COMP_FUNCTIONS, ONLY: SECOND
USE GLOBAL_CONSTANTS, ONLY: N_SPECIES,ISOTHERMAL,NULL_BOUNDARY,POROUS_BOUNDARY,PREDICTOR,CORRECTOR,EVACUATION_ONLY, &
SOLID_PHASE_ONLY,TUSED,DEBUG_OPENMP
INTEGER, INTENT(IN) :: NM
REAL(EB) :: FXYZ,PMDT,UDRHODN,TNOW
INTEGER :: I,J,K,N,II,JJ,KK,IIG,JJG,KKG,IW,IOR
REAL(EB), POINTER, DIMENSION(:) :: UWP
REAL(EB), POINTER, DIMENSION(:,:,:) :: UDRHODX,VDRHODY,WDRHODZ,EPSX,EPSY,EPSZ

IF (EVACUATION_ONLY(NM)) RETURN
IF (SOLID_PHASE_ONLY) RETURN

TNOW=SECOND()
CALL POINT_TO_MESH(NM)

IF (PREDICTOR) THEN
UU => U
VV => V
WW => W
DP => D
RHOP => RHO
UWP => UW
PMDT = DT
ELSE
UU => US
VV => VS
WW => WS
DP => DS
RHOP => RHOS
UWP => UWS
PMDT = -DT
ENDIF

! Define local CFL numbers

EPSX => WORK1
EPSY => WORK2
EPSZ => WORK3

!$OMP PARALLEL
!$OMP DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=0,KBAR
DO J=0,JBAR
DO I=0,IBAR
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_FD_01'
EPSX(I,J,K) = PMDT*UU(I,J,K)*RDXN(I)
EPSY(I,J,K) = PMDT*VV(I,J,K)*RDYN(J)
EPSZ(I,J,K) = PMDT*WW(I,J,K)*RDZN(K)
ENDDO
ENDDO
ENDDO
!$OMP END DO

! Compute spatial differences for density equation

NOT_ISOTHERMAL_IF: IF (.NOT.ISOTHERMAL) THEN

!$OMP SINGLE
UDRHODX => WORK4
VDRHODY => WORK5
WDRHODZ => WORK6
!$OMP END SINGLE

!$OMP DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=0,KBAR
DO J=0,JBAR
DO I=0,IBAR
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_FD_02'
UDRHODX(I,J,K) = UU(I,J,K)*(RHOP(I+1,J,K)-RHOP(I,J,K))*RDXN(I)
VDRHODY(I,J,K) = VV(I,J,K)*(RHOP(I,J+1,K)-RHOP(I,J,K))*RDYN(J)
WDRHODZ(I,J,K) = WW(I,J,K)*(RHOP(I,J,K+1)-RHOP(I,J,K))*RDZN(K)
ENDDO
ENDDO
ENDDO
!$OMP END DO

!$OMP DO PRIVATE(IW,II,JJ,KK,IIG,JJG,KKG,IOR,UDRHODN)
WLOOP: DO IW=1,NWC
!!$ IF ((IW == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_FD_03'
IF (BOUNDARY_TYPE(IW)==NULL_BOUNDARY .OR. BOUNDARY_TYPE(IW)==POROUS_BOUNDARY) CYCLE WLOOP
II = IJKW(1,IW)
IIG = IJKW(6,IW)
JJ = IJKW(2,IW)
JJG = IJKW(7,IW)
KK = IJKW(3,IW)
KKG = IJKW(8,IW)
IOR = IJKW(4,IW)
UDRHODN = UWP(IW)*(RHO_W(IW)-RHOP(IIG,JJG,KKG))*RDN(IW)
SELECT CASE(IOR)
CASE( 1)
UDRHODX(II,JJ,KK) = UDRHODN
CASE(-1)
UDRHODX(II-1,JJ,KK) = UDRHODN
CASE( 2)
VDRHODY(II,JJ,KK) = UDRHODN
CASE(-2)
VDRHODY(II,JJ-1,KK) = UDRHODN
CASE( 3)
WDRHODZ(II,JJ,KK) = UDRHODN
CASE(-3)
WDRHODZ(II,JJ,KK-1) = UDRHODN
END SELECT
ENDDO WLOOP
!$OMP END DO

!$OMP WORKSHARE
FRHO = 0._EB
!$OMP END WORKSHARE

!$OMP DO COLLAPSE(3) PRIVATE(K,J,I,FXYZ)
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
IF (SOLID(CELL_INDEX(I,J,K))) CYCLE
FXYZ = .5_EB*(UDRHODX(I,J,K) *(1._EB-EPSX(I,J,K)) + &
UDRHODX(I-1,J,K)*(1._EB+EPSX(I-1,J,K)) + &
VDRHODY(I,J,K) *(1._EB-EPSY(I,J,K)) + &
VDRHODY(I,J-1,K)*(1._EB+EPSY(I,J-1,K)) + &
WDRHODZ(I,J,K) *(1._EB-EPSZ(I,J,K)) + &
WDRHODZ(I,J,K-1)*(1._EB+EPSZ(I,J,K-1)) )
FRHO(I,J,K) = FXYZ + RHOP(I,J,K)*DP(I,J,K)
ENDDO
ENDDO
ENDDO
!$OMP END DO
ENDIF NOT_ISOTHERMAL_IF
!$OMP END PARALLEL


! Compute the species equation differences

IF (N_SPECIES > 0) THEN
IF (PREDICTOR) YYP => YY
IF (CORRECTOR) YYP => YYS
UDRHODX => WORK4
VDRHODY => WORK5
WDRHODZ => WORK6
ENDIF

SPECIES_LOOP: DO N=1,N_SPECIES

!$OMP PARALLEL
!$OMP DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=0,KBAR
DO J=0,JBAR
DO I=0,IBAR
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_FD_04'
UDRHODX(I,J,K) = UU(I,J,K)*( RHOP(I+1,J,K)*YYP(I+1,J,K,N)-RHOP(I,J,K)*YYP(I,J,K,N) )*RDXN(I)
VDRHODY(I,J,K) = VV(I,J,K)*( RHOP(I,J+1,K)*YYP(I,J+1,K,N)-RHOP(I,J,K)*YYP(I,J,K,N) )*RDYN(J)
WDRHODZ(I,J,K) = WW(I,J,K)*( RHOP(I,J,K+1)*YYP(I,J,K+1,N)-RHOP(I,J,K)*YYP(I,J,K,N) )*RDZN(K)
ENDDO
ENDDO
ENDDO
!$OMP END DO

! Correct U d(RHO*Y)/dx etc. on boundaries

!$OMP DO PRIVATE(IW,II,JJ,KK,IIG,JJG,KKG,IOR,UDRHODN)
WLOOP2: DO IW=1,NWC
!!$ IF ((IW == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_FD_05'
IF (BOUNDARY_TYPE(IW)==NULL_BOUNDARY .OR. BOUNDARY_TYPE(IW)==POROUS_BOUNDARY) CYCLE WLOOP2
II = IJKW(1,IW)
IIG = IJKW(6,IW)
JJ = IJKW(2,IW)
JJG = IJKW(7,IW)
KK = IJKW(3,IW)
KKG = IJKW(8,IW)
IOR = IJKW(4,IW)
UDRHODN = UWP(IW)*( RHO_W(IW)*YY_W(IW,N) - RHOP(IIG,JJG,KKG)*YYP(IIG,JJG,KKG,N) )*RDN(IW)
SELECT CASE(IOR)
CASE( 1)
UDRHODX(II,JJ,KK) = UDRHODN
CASE(-1)
UDRHODX(II-1,JJ,KK) = UDRHODN
CASE( 2)
VDRHODY(II,JJ,KK) = UDRHODN
CASE(-2)
VDRHODY(II,JJ-1,KK) = UDRHODN
CASE( 3)
WDRHODZ(II,JJ,KK) = UDRHODN
CASE(-3)
WDRHODZ(II,JJ,KK-1) = UDRHODN
END SELECT
ENDDO WLOOP2
!$OMP END DO

! Sum up the convective and diffusive terms in the transport equation and store in DEL_RHO_D_DEL_Y

!$OMP DO COLLAPSE(3) PRIVATE(K,J,I,FXYZ)
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
FXYZ = .5_EB*(UDRHODX(I,J,K) *(1._EB-EPSX(I,J,K)) + &
UDRHODX(I-1,J,K)*(1._EB+EPSX(I-1,J,K)) + &
VDRHODY(I,J,K) *(1._EB-EPSY(I,J,K)) + &
VDRHODY(I,J-1,K)*(1._EB+EPSY(I,J-1,K)) + &
WDRHODZ(I,J,K) *(1._EB-EPSZ(I,J,K)) + &
WDRHODZ(I,J,K-1)*(1._EB+EPSZ(I,J,K-1)) )
DEL_RHO_D_DEL_Y(I,J,K,N) = -DEL_RHO_D_DEL_Y(I,J,K,N) + FXYZ + RHOP(I,J,K)*YYP(I,J,K,N)*DP(I,J,K)
ENDDO
ENDDO
ENDDO
!$OMP END DO
!$OMP END PARALLEL

ENDDO SPECIES_LOOP

TUSED(3,NM)=TUSED(3,NM)+SECOND()-TNOW
END SUBROUTINE MASS_FINITE_DIFFERENCES


SUBROUTINE DENSITY(NM)

! Update the density and species mass fractions

USE COMP_FUNCTIONS, ONLY: SECOND
USE PHYSICAL_FUNCTIONS, ONLY : GET_SPECIFIC_GAS_CONSTANT
USE GLOBAL_CONSTANTS, ONLY: N_SPECIES,CO_PRODUCTION,I_PROG_F,I_PROG_CO,I_FUEL,TMPMAX,TMPMIN,EVACUATION_ONLY,PREDICTOR,CORRECTOR, &
CHANGE_TIME_STEP,ISOTHERMAL,TMPA,N_ZONE,MIXTURE_FRACTION_SPECIES, &
GAS_SPECIES, MIXTURE_FRACTION,R0,SOLID_PHASE_ONLY,TUSED,BAROCLINIC, &
RHO_LOWER_GLOBAL,RHO_UPPER_GLOBAL,RSUM0,DEBUG_OPENMP
REAL(EB) :: WFAC,DTRATIO,OMDTRATIO,TNOW,YY_GET(1:N_SPECIES)
INTEGER :: I,J,K,N
INTEGER, INTENT(IN) :: NM

IF (EVACUATION_ONLY(NM)) RETURN
IF (SOLID_PHASE_ONLY) RETURN

TNOW=SECOND()
CALL POINT_TO_MESH(NM)

PREDICTOR_STEP: SELECT CASE (PREDICTOR)

CASE(.TRUE.) PREDICTOR_STEP

!$OMP PARALLEL PRIVATE(DTRATIO,OMDTRATIO)

IF (.NOT.CHANGE_TIME_STEP(NM)) THEN

!$OMP DO COLLAPSE(4) PRIVATE(N,K,J,I)
DO N=1,N_SPECIES
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
!!$ IF ((N == 1) .AND. (K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_01'
IF (SOLID(CELL_INDEX(I,J,K))) CYCLE
YYS(I,J,K,N) = RHO(I,J,K)*YY(I,J,K,N) - DT*DEL_RHO_D_DEL_Y(I,J,K,N)
ENDDO
ENDDO
ENDDO
ENDDO
!$OMP END DO

ELSE

DTRATIO = DT/DT_PREV
OMDTRATIO = 1._EB - DTRATIO
!$OMP DO COLLAPSE(4) PRIVATE(N,K,J,I)
DO N=1,N_SPECIES
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
!!$ IF ((N == 1) .AND. (K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_02'
IF (SOLID(CELL_INDEX(I,J,K))) CYCLE
YYS(I,J,K,N) = OMDTRATIO*RHO(I,J,K) *YY(I,J,K,N) + DTRATIO*RHOS(I,J,K)*YYS(I,J,K,N)
ENDDO
ENDDO
ENDDO
ENDDO
!$OMP END DO

ENDIF
!$OMP END PARALLEL

! Predict the density at the next time step (RHOS or RHO^*)

IF (.NOT.ISOTHERMAL) THEN
!$OMP PARALLEL DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_03'
RHOS(I,J,K) = RHO(I,J,K)-DT*FRHO(I,J,K)
ENDDO
ENDDO
ENDDO
!$OMP END PARALLEL DO
ELSE

!$OMP PARALLEL DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_04'
RHOS(I,J,K) = PBAR_S(K,PRESSURE_ZONE(I,J,K))/(TMPA*SPECIES(0)%RCON)
ENDDO
ENDDO
ENDDO
!$OMP END PARALLEL DO

DO N=1,N_SPECIES
WFAC = 1._EB - SPECIES(N)%RCON/SPECIES(0)%RCON
!$OMP PARALLEL DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
!!$ IF ((N == 1) .AND. (K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_05'
RHOS(I,J,K) = RHOS(I,J,K) + WFAC*YYS(I,J,K,N)
ENDDO
ENDDO
ENDDO
!$OMP END PARALLEL DO
ENDDO

ENDIF

! Correct densities above or below clip limits

CALL CHECK_DENSITY

IF (BAROCLINIC) THEN
! Set global min and max for rho
RHO_LOWER_GLOBAL = MIN(RHO_LOWER_GLOBAL,MINVAL_GASPHASE(RHOS))
RHO_UPPER_GLOBAL = MAX(RHO_UPPER_GLOBAL,MAXVAL_GASPHASE(RHOS))
ENDIF

! Extract mass fraction from RHO * YY

!$OMP PARALLEL DO COLLAPSE(4) PRIVATE(N,K,J,I)
DO N=1,N_SPECIES
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
IF (SOLID(CELL_INDEX(I,J,K))) CYCLE
YYS(I,J,K,N) = YYS(I,J,K,N)/RHOS(I,J,K)
ENDDO
ENDDO
ENDDO
ENDDO
!$OMP END PARALLEL DO

! Correct mass fractions above or below clip limits

CALL CHECK_MASS_FRACTION

! Predict background pressure at next time step

DO I=1,N_ZONE
PBAR_S(:,I) = PBAR(:,I) + D_PBAR_DT(I)*DT
ENDDO

! Compute molecular weight term RSUM=R0*SUM(Y_i/M_i)

!$OMP PARALLEL SHARED(RSUM)
IF (N_SPECIES>0) THEN
!$OMP DO COLLAPSE(3) PRIVATE(K,J,I,YY_GET)
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_06'
YY_GET(:) = YYS(I,J,K,:)
CALL GET_SPECIFIC_GAS_CONSTANT(YY_GET,RSUM(I,J,K))
ENDDO
ENDDO
ENDDO
!$OMP END DO
IF (ISOTHERMAL) THEN
!$OMP DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_07'
RHOS(I,J,K) = PBAR_S(K,PRESSURE_ZONE(I,J,K))/(TMPA*RSUM(I,J,K))
ENDDO
ENDDO
ENDDO
!$OMP END DO
ENDIF
ENDIF

! Extract predicted temperature at next time step from Equation of State
IF (.NOT. ISOTHERMAL) THEN
IF (N_SPECIES==0) THEN
!$OMP DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_08'
TMP(I,J,K) = PBAR_S(K,PRESSURE_ZONE(I,J,K))/(RSUM0*RHOS(I,J,K))
ENDDO
ENDDO
ENDDO
!$OMP END DO
ELSE
!$OMP DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_09'
TMP(I,J,K) = PBAR_S(K,PRESSURE_ZONE(I,J,K))/(RSUM(I,J,K)*RHOS(I,J,K))
ENDDO
ENDDO
ENDDO
!$OMP END DO
ENDIF
TMP = MAX(TMPMIN,MIN(TMPMAX,TMP))
ENDIF
!$OMP END PARALLEL

! The CORRECTOR step

CASE(.FALSE.) PREDICTOR_STEP

! Correct species mass fraction at next time step (YY here actually means YY*RHO)

!$OMP PARALLEL DO COLLAPSE(4) PRIVATE(N,K,J,I)
DO N=1,N_SPECIES
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
!!$ IF ((N == 1) .AND. (K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_10'
IF (SOLID(CELL_INDEX(I,J,K))) CYCLE
YY(I,J,K,N) = .5_EB*(RHO(I,J,K)*YY(I,J,K,N) + RHOS(I,J,K)*YYS(I,J,K,N) - DT*DEL_RHO_D_DEL_Y(I,J,K,N) )
ENDDO
ENDDO
ENDDO
ENDDO
!$OMP END PARALLEL DO

! Correct density at next time step

IF (.NOT.ISOTHERMAL) THEN
!$OMP PARALLEL DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_11'
RHO(I,J,K) = .5_EB*(RHO(I,J,K)+RHOS(I,J,K)-DT*FRHO(I,J,K))
ENDDO
ENDDO
ENDDO
!$OMP END PARALLEL DO
ELSE
!$OMP PARALLEL DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_12'
RHO(I,J,K) = PBAR(K,PRESSURE_ZONE(I,J,K))/(SPECIES(0)%RCON*TMPA)
ENDDO
ENDDO
ENDDO
!$OMP END PARALLEL DO

DO N=1,N_SPECIES
WFAC = 1._EB - SPECIES(N)%RCON/SPECIES(0)%RCON
!$OMP PARALLEL DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
!!$ IF ((N == 1) .AND. (K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_13'
RHO(I,J,K) = RHO(I,J,K) + WFAC*YY(I,J,K,N)
ENDDO
ENDDO
ENDDO
!$OMP END PARALLEL DO
ENDDO
ENDIF

! Correct densities above or below clip limits

CALL CHECK_DENSITY

IF (BAROCLINIC) THEN
! Set global min and max for rho
RHO_LOWER_GLOBAL = MIN(RHO_LOWER_GLOBAL,MINVAL_GASPHASE(RHO))
RHO_UPPER_GLOBAL = MAX(RHO_UPPER_GLOBAL,MAXVAL_GASPHASE(RHO))
ENDIF

! Extract Y_n from rho*Y_n

!$OMP PARALLEL DO COLLAPSE(4) PRIVATE(N,K,J,I)
DO N=1,N_SPECIES
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
!!$ IF ((N == 1) .AND. (K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_14'
IF (SOLID(CELL_INDEX(I,J,K))) CYCLE
YY(I,J,K,N) = YY(I,J,K,N)/RHO(I,J,K)
ENDDO
ENDDO
ENDDO
ENDDO
!$OMP END PARALLEL DO

! Correct mass fractions above or below clip limits

CALL CHECK_MASS_FRACTION

! Correct background pressure

DO I=1,N_ZONE
PBAR(:,I) = .5_EB*(PBAR(:,I) + PBAR_S(:,I) + D_PBAR_S_DT(I)*DT)
ENDDO

! Compute molecular weight term RSUM=R0*SUM(Y_i/M_i)

!$OMP PARALLEL SHARED(RSUM)
IF (N_SPECIES>0) THEN
!$OMP DO COLLAPSE(3) PRIVATE(K,J,I,YY_GET)
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_15'
YY_GET(:) = YY(I,J,K,:)
CALL GET_SPECIFIC_GAS_CONSTANT(YY_GET,RSUM(I,J,K))
ENDDO
ENDDO
ENDDO
!$OMP END DO
IF (ISOTHERMAL) THEN
!$OMP DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_16'
RHO(I,J,K) = PBAR(K,PRESSURE_ZONE(I,J,K))/(TMPA*RSUM(I,J,K))
ENDDO
ENDDO
ENDDO
!$OMP END DO
ENDIF
ENDIF

! Extract predicted temperature at next time step from Equation of State

IF (.NOT. ISOTHERMAL) THEN
IF (N_SPECIES==0) THEN
!$OMP DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_17'
TMP(I,J,K) = PBAR(K,PRESSURE_ZONE(I,J,K))/(RSUM0*RHO(I,J,K))
ENDDO
ENDDO
ENDDO
!$OMP END DO
ELSE
!$OMP DO COLLAPSE(3) PRIVATE(K,J,I)
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_DENS_18'
TMP(I,J,K) = PBAR(K,PRESSURE_ZONE(I,J,K))/(RSUM(I,J,K)*RHO(I,J,K))
ENDDO
ENDDO
ENDDO
!$OMP END DO
ENDIF
!$OMP WORKSHARE
TMP = MAX(TMPMIN,MIN(TMPMAX,TMP))
!$OMP END WORKSHARE
ENDIF
!$OMP END PARALLEL
END SELECT PREDICTOR_STEP

TUSED(3,NM)=TUSED(3,NM)+SECOND()-TNOW

END SUBROUTINE DENSITY


SUBROUTINE CHECK_DENSITY

! Redistribute mass from cells below or above the density cut-off limits

USE GLOBAL_CONSTANTS, ONLY : PREDICTOR, CORRECTOR, N_SPECIES,RHOMIN,RHOMAX,DEBUG_OPENMP,TWO_D
REAL(EB) :: SUM,CONST,CONST2,RHOMI,RHOPI,RHOMJ,RHOPJ,RHOMK,RHOPK,RHO00,RMIN,RMAX
INTEGER :: IC,ISUM,I,J,K
LOGICAL :: LC(-3:3)
REAL(EB), POINTER, DIMENSION(:,:,:) :: RHODELTA,V_CELL

RHODELTA => WORK2

IF (PREDICTOR) THEN
RHOP=>RHOS
ELSE
RHOP=>RHO
ENDIF

V_CELL => WORK3

!$OMP PARALLEL
IF (TWO_D) THEN
!$OMP DO COLLAPSE(3)
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
V_CELL(I,J,K) = DX(I)*DZ(K)
ENDDO
ENDDO
ENDDO
!$OMP END DO
ELSE
!$OMP DO COLLAPSE(3)
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
V_CELL(I,J,K) = DX(I)*DY(J)*DZ(K)
ENDDO
ENDDO
ENDDO
!$OMP END DO
ENDIF


! Correct undershoots

!$OMP WORKSHARE
RHODELTA = 0._EB
!$OMP END WORKSHARE

!$OMP DO COLLAPSE(3) PRIVATE(K,J,I,IC,RMIN,SUM,ISUM,LC,RHO00,RHOMI,RHOPI,RHOMJ,RHOPJ,RHOMK,RHOPK,CONST,CONST2)
DO K=1,KBAR
DO J=1,JBAR
CHECK_LOOP: DO I=1,IBAR
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_CHECK_DENSITY_01'
IC = CELL_INDEX(I,J,K)
IF (SOLID(IC)) CYCLE CHECK_LOOP
RMIN = RHOMIN
IF (RHOP(I,J,K)>=RMIN) CYCLE CHECK_LOOP
SUM = 0._EB
ISUM = 0
LC = .FALSE.
RHO00 = RHOP(I,J,K)
RHOMI = RHOP(I-1,J,K)
RHOPI = RHOP(I+1,J,K)
RHOMJ = RHOP(I,J-1,K)
RHOPJ = RHOP(I,J+1,K)
RHOMK = RHOP(I,J,K-1)
RHOPK = RHOP(I,J,K+1)
IF (WALL_INDEX(IC,-1)==0 .AND. RHOMI>RMIN) THEN
SUM = SUM + RHOMI
ISUM = ISUM + 1
LC(-1) = .TRUE.
ENDIF
IF (WALL_INDEX(IC, 1)==0 .AND. RHOPI>RMIN) THEN
SUM = SUM + RHOPI
ISUM = ISUM + 1
LC( 1) = .TRUE.
ENDIF
IF (WALL_INDEX(IC,-2)==0 .AND. RHOMJ>RMIN) THEN
SUM = SUM + RHOMJ
ISUM = ISUM + 1
LC(-2) = .TRUE.
ENDIF
IF (WALL_INDEX(IC, 2)==0 .AND. RHOPJ>RMIN) THEN
SUM = SUM + RHOPJ
ISUM = ISUM + 1
LC( 2) = .TRUE.
ENDIF
IF (WALL_INDEX(IC,-3)==0 .AND. RHOMK>RMIN) THEN
SUM = SUM + RHOMK
ISUM = ISUM + 1
LC(-3) = .TRUE.
ENDIF
IF (WALL_INDEX(IC, 3)==0 .AND. RHOPK>RMIN) THEN
SUM = SUM + RHOPK
ISUM = ISUM + 1
LC( 3) = .TRUE.
ENDIF
IF (ISUM==0) THEN
RHODELTA(I,J,K) = RMIN - RHOP(I,J,K)
CYCLE CHECK_LOOP
ELSE
IF(SUM-ISUM*RHO00 /= 0._EB) THEN
CONST = (RHOMIN-RHO00)/(SUM-ISUM*RHO00)
IF (LC(-1)) THEN
CONST2 = CONST*V_CELL(I,J,K)/V_CELL(I-1,J,K)
RHODELTA(I-1,J,K) = RHODELTA(I-1,J,K) + MAX(RMIN,RHOMI+CONST2*(RHO00-RHOMI)) - RHOP(I-1,J,K)
ENDIF
IF (LC( 1)) THEN
CONST2 = CONST*V_CELL(I,J,K)/V_CELL(I+1,J,K)
RHODELTA(I+1,J,K) = RHODELTA(I+1,J,K) + MAX(RMIN,RHOPI+CONST2*(RHO00-RHOPI)) - RHOP(I+1,J,K)
ENDIF
IF (LC(-2)) THEN
CONST2 = CONST*V_CELL(I,J,K)/V_CELL(I,J-1,K)
RHODELTA(I,J-1,K) = RHODELTA(I,J-1,K) + MAX(RMIN,RHOMJ+CONST2*(RHO00-RHOMJ)) - RHOP(I,J-1,K)
ENDIF
IF (LC( 2)) THEN
CONST2 = CONST*V_CELL(I,J,K)/V_CELL(I,J+1,K)
RHODELTA(I,J+1,K) = RHODELTA(I,J+1,K) + MAX(RMIN,RHOPJ+CONST2*(RHO00-RHOPJ)) - RHOP(I,J+1,K)
ENDIF
IF (LC(-3)) THEN
CONST2 = CONST*V_CELL(I,J,K)/V_CELL(I,J,K-1)
RHODELTA(I,J,K-1) = RHODELTA(I,J,K-1) + MAX(RMIN,RHOMK+CONST2*(RHO00-RHOMK)) - RHOP(I,J,K-1)
ENDIF
IF (LC( 3)) THEN
CONST2 = CONST*V_CELL(I,J,K)/V_CELL(I,J,K+1)
RHODELTA(I,J,K+1) = RHODELTA(I,J,K+1) + MAX(RMIN,RHOPK+CONST2*(RHO00-RHOPK)) - RHOP(I,J,K+1)
ENDIF
RHODELTA(I,J,K) = RHODELTA(I,J,K) + RMIN - RHOP(I,J,K)
ENDIF
ENDIF
ENDDO CHECK_LOOP
ENDDO
ENDDO
!$OMP END DO

!$OMP WORKSHARE
RHOP = MAX(RHOMIN,RHOP+RHODELTA)

! Correct overshoots

RHODELTA = 0._EB
!$OMP END WORKSHARE

!$OMP DO COLLAPSE(3) PRIVATE(K,J,I,IC,RMAX,SUM,ISUM,LC,RHO00,RHOMI,RHOPI,RHOMJ,RHOPJ,RHOMK,RHOPK,CONST,CONST2)
DO K=1,KBAR
DO J=1,JBAR
CHECK_LOOP2: DO I=1,IBAR
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_CHECK_DENSITY_02'
IC = CELL_INDEX(I,J,K)
IF (SOLID(IC)) CYCLE CHECK_LOOP2
RMAX = RHOMAX
IF (RHOP(I,J,K)<=RMAX) CYCLE CHECK_LOOP2
SUM = 0._EB
ISUM = 0
LC = .FALSE.
RHO00 = RHOP(I,J,K)
RHOMI = RHOP(I-1,J,K)
RHOPI = RHOP(I+1,J,K)
RHOMJ = RHOP(I,J-1,K)
RHOPJ = RHOP(I,J+1,K)
RHOMK = RHOP(I,J,K-1)
RHOPK = RHOP(I,J,K+1)
IF (WALL_INDEX(IC,-1)==0 .AND. RHOMI<RMAX) THEN
SUM = SUM + RHOMI
ISUM = ISUM + 1
LC(-1) = .TRUE.
ENDIF
IF (WALL_INDEX(IC, 1)==0 .AND. RHOPI<RMAX) THEN
SUM = SUM + RHOPI
ISUM = ISUM + 1
LC( 1) = .TRUE.
ENDIF
IF (WALL_INDEX(IC,-2)==0 .AND. RHOMJ<RMAX) THEN
SUM = SUM + RHOMJ
ISUM = ISUM + 1
LC(-2) = .TRUE.
ENDIF
IF (WALL_INDEX(IC, 2)==0 .AND. RHOPJ<RMAX) THEN
SUM = SUM + RHOPJ
ISUM = ISUM + 1
LC( 2) = .TRUE.
ENDIF
IF (WALL_INDEX(IC,-3)==0 .AND. RHOMK<RMAX) THEN
SUM = SUM + RHOMK
ISUM = ISUM + 1
LC(-3) = .TRUE.
ENDIF
IF (WALL_INDEX(IC, 3)==0 .AND. RHOPK<RMAX) THEN
SUM = SUM + RHOPK
ISUM = ISUM + 1
LC( 3) = .TRUE.
ENDIF
IF (ISUM==0) THEN
RHODELTA(I,J,K) = RMAX - RHOP(I,J,K)
CYCLE CHECK_LOOP2
ELSE
IF(SUM-ISUM*RHO00 /= 0._EB) THEN
CONST = (RMAX-RHO00)/(SUM-ISUM*RHO00)
IF (LC(-1)) THEN
CONST2 = CONST*V_CELL(I,J,K)/V_CELL(I-1,J,K)
RHODELTA(I-1,J,K) = RHODELTA(I-1,J,K) + MIN(RMAX,RHOMI+CONST2*(RHO00-RHOMI)) - RHOP(I-1,J,K)
ENDIF
IF (LC( 1)) THEN
CONST2 = CONST*V_CELL(I,J,K)/V_CELL(I+1,J,K)
RHODELTA(I+1,J,K) = RHODELTA(I+1,J,K) + MIN(RMAX,RHOPI+CONST2*(RHO00-RHOPI)) - RHOP(I+1,J,K)
ENDIF
IF (LC(-2)) THEN
CONST2 = CONST*V_CELL(I,J,K)/V_CELL(I,J-1,K)
RHODELTA(I,J-1,K) = RHODELTA(I,J-1,K) + MIN(RMAX,RHOMJ+CONST2*(RHO00-RHOMJ)) - RHOP(I,J-1,K)
ENDIF
IF (LC( 2)) THEN
CONST2 = CONST*V_CELL(I,J,K)/V_CELL(I,J+1,K)
RHODELTA(I,J+1,K) = RHODELTA(I,J+1,K) + MIN(RMAX,RHOPJ+CONST2*(RHO00-RHOPJ)) - RHOP(I,J+1,K)
ENDIF
IF (LC(-3)) THEN
CONST2 = CONST*V_CELL(I,J,K)/V_CELL(I,J,K-1)
RHODELTA(I,J,K-1) = RHODELTA(I,J,K-1) + MIN(RMAX,RHOMK+CONST2*(RHO00-RHOMK)) - RHOP(I,J,K-1)
ENDIF
IF (LC( 3)) THEN
CONST2 = CONST*V_CELL(I,J,K)/V_CELL(I,J,K+1)
RHODELTA(I,J,K+1) = RHODELTA(I,J,K+1) + MIN(RMAX,RHOPK+CONST2*(RHO00-RHOPK)) - RHOP(I,J,K+1)
ENDIF
RHODELTA(I,J,K) = RHODELTA(I,J,K) + RMAX - RHOP(I,J,K)
ENDIF
ENDIF
ENDDO CHECK_LOOP2
ENDDO
ENDDO
!$OMP END DO

!$OMP WORKSHARE
RHOP = MIN(RHOMAX,RHOP+RHODELTA)
!$OMP END WORKSHARE
!$OMP END PARALLEL
END SUBROUTINE CHECK_DENSITY


SUBROUTINE CHECK_MASS_FRACTION

! Redistribute species mass from cells below or above the cut-off limits

USE GLOBAL_CONSTANTS, ONLY : PREDICTOR, CORRECTOR, N_SPECIES,YYMIN,YYMAX,POROUS_BOUNDARY,DEBUG_OPENMP
REAL(EB) :: SUM,CONST,RHYMI,RHYPI,RHYMJ,RHYPJ,RHYMK,RHYPK,RHY0,YMI,YPI,YMJ,YPJ,YMK,YPK,Y00,YMIN,YMAX
INTEGER :: IC,N,ISUM, IW_A(-3:3),I,J,K
LOGICAL :: LC(-3:3)
REAL(EB), POINTER, DIMENSION(:,:,:) :: YYDELTA

YYDELTA => WORK1
IF (PREDICTOR) THEN
RHOP => RHOS
YYP => YYS
ELSE
RHOP => RHO
YYP => YY
ENDIF

! Search the domain for negative values of Y or Z. Redistribute mass where appropriate.

SPECIESLOOP: DO N=1,N_SPECIES

!$OMP PARALLEL
!$OMP WORKSHARE
YYDELTA = 0._EB
!$OMP END WORKSHARE

! Do undershoots

!$OMP DO COLLAPSE(3) PRIVATE(K,J,I,IC,IW_A,Y00,SUM,ISUM,LC,YMIN,YMI,YPI,YMJ,YPJ,YMK,YPK) &
!$OMP PRIVATE(RHY0,RHYPI,RHYMI,RHYPJ,RHYMJ,RHYPK,RHYMK,CONST)
DO K=1,KBAR
DO J=1,JBAR
CHECK_LOOP: DO I=1,IBAR
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_CHECK_M_FRACTION_01'
IC = CELL_INDEX(I,J,K)
IF (SOLID(IC)) CYCLE CHECK_LOOP
IW_A = WALL_INDEX(IC,:)
Y00 = YYP(I,J,K,N)
SUM = 0._EB
ISUM = 0
LC = .FALSE.
YMIN = YYMAX(N)
IF (IW_A(-1) == 0) THEN
YMI = YYP(I-1,J,K,N)
LC(-1) = .TRUE.
ELSE
IF (BOUNDARY_TYPE(IW_A(-1))==POROUS_BOUNDARY) THEN
YMI = YYP(I-1,J,K,N)
LC(-1) = .TRUE.
ELSE
YMI = YY_W(IW_A(-1),N)
ENDIF
ENDIF
IF (IW_A( 1) == 0) THEN
YPI = YYP(I+1,J,K,N)
LC( 1) = .TRUE.
ELSE
IF (BOUNDARY_TYPE(IW_A(1))==POROUS_BOUNDARY) THEN
YPI = YYP(I+1,J,K,N)
LC( 1) = .TRUE.
ELSE
YPI = YY_W(IW_A(1),N)
ENDIF
ENDIF
IF (IW_A(-2) == 0) THEN
YMJ = YYP(I,J-1,K,N)
LC(-2) = .TRUE.
ELSE
IF (BOUNDARY_TYPE(IW_A(-2))==POROUS_BOUNDARY) THEN
YMJ = YYP(I,J-1,K,N)
LC(-2) = .TRUE.
ELSE
YMJ = YY_W(IW_A(-2),N)
ENDIF
ENDIF
IF (IW_A( 2) == 0) THEN
YPJ = YYP(I,J+1,K,N)
LC( 2) = .TRUE.
ELSE
IF (BOUNDARY_TYPE(IW_A( 2))==POROUS_BOUNDARY) THEN
YPJ = YYP(I,J+1,K,N)
LC( 2) = .TRUE.
ELSE
YPJ = YY_W(IW_A( 2),N)
ENDIF
ENDIF
IF (IW_A(-3) == 0) THEN
YMK = YYP(I,J,K-1,N)
LC(-3) = .TRUE.
ELSE
IF (BOUNDARY_TYPE(IW_A(-3))==POROUS_BOUNDARY) THEN
YMK = YYP(I,J,K-1,N)
LC(-3) = .TRUE.
ELSE
YMK = YY_W(IW_A(-3),N)
ENDIF
ENDIF
IF (IW_A( 3) == 0) THEN
YPK = YYP(I,J,K+1,N)
LC( 3) = .TRUE.
ELSE
IF (BOUNDARY_TYPE(IW_A( 3))==POROUS_BOUNDARY) THEN
YPK = YYP(I,J,K+1,N)
LC( 3) = .TRUE.
ELSE
YPK = YY_W(IW_A( 3),N)
ENDIF
ENDIF
YMIN = MIN(YMI,YPI,YMJ,YPJ,YMK,YPK)
YMIN = MAX(YMIN,YYMIN(N))
IF ((DEL_RHO_D_DEL_Y(I,J,K,N) > 0._EB .AND. Y00 < YMIN) .OR. Y00 < YYMIN(N)) THEN
RHY0 = RHOP(I,J,K) *(YMIN - Y00)
IF (LC(-1) .AND. YMI>YMIN) THEN! .AND. DEL_RHO_D_DEL_Y(I-1,J,K,N) < 0._EB) THEN
RHYMI = RHOP(I-1,J,K)*(YMI - YMIN)
SUM = SUM + RHYMI
ISUM = ISUM + 1
ELSE
LC(-1) = .FALSE.
ENDIF
IF (LC( 1) .AND. YPI>YMIN) THEN! .AND. DEL_RHO_D_DEL_Y(I+1,J,K,N) < 0._EB) THEN
RHYPI = RHOP(I+1,J,K)*(YPI - YMIN)
SUM = SUM + RHYPI
ISUM = ISUM + 1
ELSE
LC( 1) = .FALSE.
ENDIF
IF (LC(-2) .AND. YMJ>YMIN) THEN! .AND. DEL_RHO_D_DEL_Y(I,J-1,K,N) < 0._EB) THEN
RHYMJ = RHOP(I,J-1,K)*(YMJ - YMIN)
SUM = SUM + RHYMJ
ISUM = ISUM + 1
ELSE
LC(-2) = .FALSE.
ENDIF
IF (LC( 2) .AND. YPJ>YMIN) THEN! .AND. DEL_RHO_D_DEL_Y(I,J+1,K,N) < 0._EB) THEN
RHYPJ = RHOP(I,J+1,K)*(YPJ - YMIN)
SUM = SUM + RHYPJ
ISUM = ISUM + 1
LC( 2) = .TRUE.
ELSE
LC( 2) = .FALSE.
ENDIF
IF (LC(-3) .AND. YMK>YMIN) THEN! .AND. DEL_RHO_D_DEL_Y(I,J,K-1,N) < 0._EB) THEN
RHYMK = RHOP(I,J,K-1)*(YMK - YMIN)
SUM = SUM + RHYMK
ISUM = ISUM + 1
ELSE
LC(-3) = .FALSE.
ENDIF
IF (LC( 3) .AND. YPK>YMIN) THEN! .AND. DEL_RHO_D_DEL_Y(I,J,K+1,N) < 0._EB) THEN
RHYPK = RHOP(I,J,K+1)*(YPK - YMIN)
SUM = SUM + RHYPK
ISUM = ISUM + 1
ELSE
LC( 3) = .FALSE.
ENDIF
IF (ISUM==0) THEN
IF (YMIN <= YYMIN(N)) YYDELTA(I,J,K) = YYDELTA(I,J,K) + YMIN - Y00
CYCLE CHECK_LOOP
ELSE
IF (SUM/=0._EB) THEN
YYDELTA(I,J,K) = YYDELTA(I,J,K) + YMIN - Y00
CONST = MIN(1._EB,RHY0/SUM)
IF (LC(-1)) YYDELTA(I-1,J,K) = YYDELTA(I-1,J,K) - RHYMI*CONST/RHOP(I-1,J,K)
IF (LC( 1)) YYDELTA(I+1,J,K) = YYDELTA(I+1,J,K) - RHYPI*CONST/RHOP(I+1,J,K)
IF (LC(-2)) YYDELTA(I,J-1,K) = YYDELTA(I,J-1,K) - RHYMJ*CONST/RHOP(I,J-1,K)
IF (LC( 2)) YYDELTA(I,J+1,K) = YYDELTA(I,J+1,K) - RHYPJ*CONST/RHOP(I,J+1,K)
IF (LC(-3)) YYDELTA(I,J,K-1) = YYDELTA(I,J,K-1) - RHYMK*CONST/RHOP(I,J,K-1)
IF (LC( 3)) YYDELTA(I,J,K+1) = YYDELTA(I,J,K+1) - RHYPK*CONST/RHOP(I,J,K+1)
ENDIF
ENDIF
ENDIF
ENDDO CHECK_LOOP
ENDDO
ENDDO
!$OMP END DO

!$OMP WORKSHARE
YYP(:,:,:,N) = YYP(:,:,:,N) + YYDELTA
YYDELTA=0._EB
!$OMP END WORKSHARE

! Do overshoots
!$OMP DO COLLAPSE(3) PRIVATE(K,J,I,IC,IW_A,Y00,SUM,ISUM,LC,YMIN,YMI,YPI,YMK,YPK,YMJ,YPJ,YMAX) &
!$OMP PRIVATE(RHY0,RHYPI,RHYMI,RHYPJ,RHYMJ,RHYPK,RHYMK,CONST)
DO K=1,KBAR
DO J=1,JBAR
CHECK_LOOP2: DO I=1,IBAR
!!$ IF ((K == 1) .AND. (J == 1) .AND. (I == 1) .AND. DEBUG_OPENMP) WRITE(*,*) 'OpenMP_MASS_CHECK_M_FRACTION_02'
IC = CELL_INDEX(I,J,K)
IF (SOLID(IC)) CYCLE CHECK_LOOP2
IW_A = WALL_INDEX(IC,:)
Y00 = YYP(I,J,K,N)
SUM = 0._EB
ISUM = 0
LC = .FALSE.
YMIN = YYMAX(N)
IF (IW_A(-1) == 0) THEN
YMI = YYP(I-1,J,K,N)
LC(-1) = .TRUE.
ELSE
YMI = YY_W(IW_A(-1),N)
ENDIF
IF (IW_A( 1) == 0) THEN
YPI = YYP(I+1,J,K,N)
LC( 1) = .TRUE.
ELSE
YPI = YY_W(IW_A( 1),N)
ENDIF
IF (IW_A(-2) == 0) THEN
YMJ = YYP(I,J-1,K,N)
LC(-2) = .TRUE.
ELSE
YMJ = YY_W(IW_A(-2),N)
ENDIF
IF (IW_A( 2) == 0) THEN
YPJ = YYP(I,J+1,K,N)
LC( 2) = .TRUE.
ELSE
YPJ = YY_W(IW_A( 2),N)
ENDIF
IF (IW_A(-3) == 0) THEN
YMK = YYP(I,J,K-1,N)
LC(-3) = .TRUE.
ELSE
YMK = YY_W(IW_A(-3),N)
ENDIF
IF (IW_A( 3) == 0) THEN
YPK = YYP(I,J,K+1,N)
LC( 3) = .TRUE.
ELSE
YPK = YY_W(IW_A( 3),N)
ENDIF
YMAX = MAX(YMI,YPI,YMJ,YPJ,YMK,YPK)
YMAX = MIN(YMAX,YYMAX(N))
IF ((DEL_RHO_D_DEL_Y(I,J,K,N) < 0._EB .AND. Y00 > YMAX) .OR. Y00 > YYMAX(N)) THEN
RHY0 = RHOP(I,J,K) *(Y00 - YMAX)
IF (LC(-1) .AND. YMI<YMAX) THEN! .AND. DEL_RHO_D_DEL_Y(I-1,J,K,N) > 0._EB) THEN
RHYMI = RHOP(I-1,J,K)*(YMAX - YMI)
SUM = SUM + RHYMI
ISUM = ISUM + 1
ELSE
LC(-1) = .FALSE.
ENDIF
IF (LC( 1) .AND. YPI<YMAX) THEN! .AND. DEL_RHO_D_DEL_Y(I+1,J,K,N) > 0._EB) THEN
RHYPI = RHOP(I+1,J,K)*(YMAX - YPI)
SUM = SUM + RHYPI
ISUM = ISUM + 1
ELSE
LC( 1) = .FALSE.
ENDIF
IF (LC(-2) .AND. YMJ<YMAX) THEN! .AND. DEL_RHO_D_DEL_Y(I,J-1,K,N) > 0._EB) THEN
RHYMJ = RHOP(I,J-1,K)*(YMAX - YMJ)
SUM = SUM + RHYMJ
ISUM = ISUM + 1
ELSE
LC(-2) = .FALSE.
ENDIF
IF (LC( 2) .AND. YPJ<YMAX) THEN! .AND. DEL_RHO_D_DEL_Y(I,J+1,K,N) > 0._EB) THEN
RHYPJ = RHOP(I,J+1,K)*(YMAX - YPJ)
SUM = SUM + RHYPJ
ISUM = ISUM + 1
ELSE
LC( 2) = .FALSE.
ENDIF
IF (LC(-3) .AND. YMK<YMAX) THEN! .AND. DEL_RHO_D_DEL_Y(I,J,K-1,N) > 0._EB) THEN
RHYMK = RHOP(I,J,K-1)*(YMAX - YMK)
SUM = SUM + RHYMK
ISUM = ISUM + 1
ELSE
LC(-3) = .FALSE.
ENDIF
IF (LC( 3) .AND. YPK<YMAX) THEN! .AND. DEL_RHO_D_DEL_Y(I,J,K+1,N) > 0._EB) THEN
RHYPK = RHOP(I,J,K+1)*(YMAX - YPK)
SUM = SUM + RHYPK
ISUM = ISUM + 1
ELSE
LC( 3) = .FALSE.
ENDIF
IF (ISUM==0) THEN
IF(YMAX >= YYMAX(N)) YYDELTA(I,J,K) = YYDELTA(I,J,K) + YMAX - Y00
CYCLE CHECK_LOOP2
ELSE
IF (SUM/=0._EB) THEN
YYDELTA(I,J,K) = YYDELTA(I,J,K) + YMAX - Y00
CONST = MIN(1._EB,RHY0/SUM)
IF (LC(-1)) YYDELTA(I-1,J,K) = YYDELTA(I-1,J,K) + RHYMI*CONST/RHOP(I-1,J,K)
IF (LC( 1)) YYDELTA(I+1,J,K) = YYDELTA(I+1,J,K) + RHYPI*CONST/RHOP(I+1,J,K)
IF (LC(-2)) YYDELTA(I,J-1,K) = YYDELTA(I,J-1,K) + RHYMJ*CONST/RHOP(I,J-1,K)
IF (LC( 2)) YYDELTA(I,J+1,K) = YYDELTA(I,J+1,K) + RHYPJ*CONST/RHOP(I,J+1,K)
IF (LC(-3)) YYDELTA(I,J,K-1) = YYDELTA(I,J,K-1) + RHYMK*CONST/RHOP(I,J,K-1)
IF (LC( 3)) YYDELTA(I,J,K+1) = YYDELTA(I,J,K+1) + RHYPK*CONST/RHOP(I,J,K+1)
ENDIF
ENDIF
ENDIF
ENDDO CHECK_LOOP2
ENDDO
ENDDO
!$OMP END DO

!$OMP WORKSHARE
YYP(:,:,:,N) = YYP(:,:,:,N) + YYDELTA
!$OMP END WORKSHARE
!$OMP END PARALLEL
ENDDO SPECIESLOOP

RETURN

END SUBROUTINE CHECK_MASS_FRACTION

!! END SUBROUTINE DENSITY


!===========================================================================
! The following are experimental scalar transport routines which are invoked
! by setting FLUX_LIMITER = {0,1,2,3,4} on the MISC line. See the function
! SCALAR_FACE_VALUE below for a description of the FLUX_LIMITER value. ~RJM
!===========================================================================

SUBROUTINE DENSITY_TVD(NM)

! Update the density and species mass fractions

USE COMP_FUNCTIONS, ONLY: SECOND
USE PHYSICAL_FUNCTIONS, ONLY : GET_SPECIFIC_GAS_CONSTANT
USE GLOBAL_CONSTANTS, ONLY: N_SPECIES,CO_PRODUCTION,I_PROG_F,I_PROG_CO,I_FUEL,TMPMAX,TMPMIN,EVACUATION_ONLY,PREDICTOR,CORRECTOR, &
CHANGE_TIME_STEP,ISOTHERMAL,TMPA, N_ZONE,MIXTURE_FRACTION_SPECIES, LU_ERR, &
GAS_SPECIES, MIXTURE_FRACTION,R0,SOLID_PHASE_ONLY,TUSED,FLUX_LIMITER, &
RHO_LOWER_GLOBAL,RHO_UPPER_GLOBAL,RSUM0,BAROCLINIC,CHECK_KINETIC_ENERGY, &
CYLINDRICAL,CLIP_MASS_FRACTION,TUSED
REAL(EB) :: TNOW,YY_GET(1:N_SPECIES)
INTEGER :: I,J,K,N
INTEGER, INTENT(IN) :: NM
REAL(EB), POINTER, DIMENSION(:,:,:,:) :: RHOYYP,FX,FY,FZ,YYN


IF (EVACUATION_ONLY(NM)) RETURN
IF (SOLID_PHASE_ONLY) RETURN

TNOW=SECOND()
CALL POINT_TO_MESH(NM)

FX => SCALAR_SAVE1
FY => SCALAR_SAVE2
FZ => SCALAR_SAVE3
RHOYYP => SCALAR_SAVE4
YYN => SCALAR_SAVE5

SELECT_SUBSTEP: IF (PREDICTOR) THEN

! Update the density

DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
RHOS(I,J,K) = RHO(I,J,K) - DT*( RDX(I)*(FX(I,J,K,0)-FX(I-1,J,K,0))*RRN(I) &
+ RDY(J)*(FY(I,J,K,0)-FY(I,J-1,K,0)) &
+ RDZ(K)*(FZ(I,J,K,0)-FZ(I,J,K-1,0)) )
ENDDO
ENDDO
ENDDO

! Correct densities above or below clip limits

CALL CHECK_DENSITY

IF (BAROCLINIC) THEN
! Set global min and max for rho
RHO_LOWER_GLOBAL = MIN(RHO_LOWER_GLOBAL,MINVAL_GASPHASE(RHOS))
RHO_UPPER_GLOBAL = MAX(RHO_UPPER_GLOBAL,MAXVAL_GASPHASE(RHOS))
ENDIF

! Update mass fractions

DO N=1,N_SPECIES
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
YYN(I,J,K,N) = RHOYYP(I,J,K,N)
YYS(I,J,K,N) = RHOYYP(I,J,K,N) - DT*( RDX(I)*(FX(I,J,K,N)-FX(I-1,J,K,N))*RRN(I) &
+ RDY(J)*(FY(I,J,K,N)-FY(I,J-1,K,N)) &
+ RDZ(K)*(FZ(I,J,K,N)-FZ(I,J,K-1,N)) )
ENDDO
ENDDO
ENDDO
ENDDO

! Extract REALIZABLE YY from REALIZABLE RHO*YY

DO N=1,N_SPECIES
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
YYS(I,J,K,N) = YYS(I,J,K,N)/RHOS(I,J,K)
ENDDO
ENDDO
ENDDO
ENDDO

IF (CLIP_MASS_FRACTION) THEN
DO N=1,N_SPECIES
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
YYS(I,J,K,N) = MIN(YYS(I,J,K,N),1._EB)
YYS(I,J,K,N) = MAX(YYS(I,J,K,N),0._EB)
ENDDO
ENDDO
ENDDO
ENDDO
ELSE
CALL CHECK_MASS_FRACTION
ENDIF

! Predict background pressure at next time step

DO I=1,N_ZONE
PBAR_S(:,I) = PBAR(:,I) + D_PBAR_DT(I)*DT
ENDDO

! Compute molecular weight term RSUM=R0*SUM(Y_i/M_i)

IF (N_SPECIES>0) THEN
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
YY_GET(:) = YYS(I,J,K,:)
CALL GET_SPECIFIC_GAS_CONSTANT(YY_GET,RSUM(I,J,K))
ENDDO
ENDDO
ENDDO
IF (ISOTHERMAL) THEN
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
RHOS(I,J,K) = PBAR_S(K,PRESSURE_ZONE(I,J,K))/(TMPA*RSUM(I,J,K))
ENDDO
ENDDO
ENDDO
ENDIF
ENDIF

! Extract predicted temperature at next time step from Equation of State

IF (.NOT. ISOTHERMAL) THEN
IF (N_SPECIES==0) THEN
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
TMP(I,J,K) = PBAR_S(K,PRESSURE_ZONE(I,J,K))/(RSUM0*RHOS(I,J,K))
ENDDO
ENDDO
ENDDO
ELSE
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
TMP(I,J,K) = PBAR_S(K,PRESSURE_ZONE(I,J,K))/(RSUM(I,J,K)*RHOS(I,J,K))
ENDDO
ENDDO
ENDDO
ENDIF
TMP = MAX(TMPMIN,MIN(TMPMAX,TMP))
ENDIF

! The CORRECTOR step

ELSEIF (CORRECTOR) THEN

! Update the density

DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
RHOS(I,J,K) = RHOS(I,J,K) - DT*( RDX(I)*(FX(I,J,K,0)-FX(I-1,J,K,0))*RRN(I) &
+ RDY(J)*(FY(I,J,K,0)-FY(I,J-1,K,0)) &
+ RDZ(K)*(FZ(I,J,K,0)-FZ(I,J,K-1,0)) )
ENDDO
ENDDO
ENDDO

! Update mass fractions

DO N=1,N_SPECIES
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
YYS(I,J,K,N) = RHOYYP(I,J,K,N) - DT*( RDX(I)*(FX(I,J,K,N)-FX(I-1,J,K,N))*RRN(I) &
+ RDY(J)*(FY(I,J,K,N)-FY(I,J-1,K,N)) &
+ RDZ(K)*(FZ(I,J,K,N)-FZ(I,J,K-1,N)) )
ENDDO
ENDDO
ENDDO
ENDDO

! Corrector step

DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
RHO(I,J,K) = 0.5_EB*( RHO(I,J,K) + RHOS(I,J,K) )
ENDDO
ENDDO
ENDDO

! Correct densities above or below clip limits

CALL CHECK_DENSITY

DO N=1,N_SPECIES
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
YY(I,J,K,N) = 0.5_EB*( YYN(I,J,K,N) + YYS(I,J,K,N) )/RHO(I,J,K)
ENDDO
ENDDO
ENDDO
ENDDO

IF (CLIP_MASS_FRACTION) THEN
DO N=1,N_SPECIES
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
YY(I,J,K,N) = MAX(YY(I,J,K,N),0._EB)
YY(I,J,K,N) = MIN(YY(I,J,K,N),1._EB)
ENDDO
ENDDO
ENDDO
ENDDO
ELSE
CALL CHECK_MASS_FRACTION
ENDIF

IF (BAROCLINIC) THEN
! Set global min and max for rho
RHO_LOWER_GLOBAL = MIN(RHO_LOWER_GLOBAL,MINVAL_GASPHASE(RHO))
RHO_UPPER_GLOBAL = MAX(RHO_UPPER_GLOBAL,MAXVAL_GASPHASE(RHO))
ENDIF

! Correct background pressure

DO I=1,N_ZONE
PBAR(:,I) = .5_EB*(PBAR(:,I) + PBAR_S(:,I) + D_PBAR_S_DT(I)*DT)
ENDDO

! Compute molecular weight term RSUM=R0*SUM(Y_i/M_i)

IF (N_SPECIES>0) THEN
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
YY_GET(:) = YY(I,J,K,:)
CALL GET_SPECIFIC_GAS_CONSTANT(YY_GET,RSUM(I,J,K))
ENDDO
ENDDO
ENDDO
IF (ISOTHERMAL) THEN
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
RHO(I,J,K) = PBAR(K,PRESSURE_ZONE(I,J,K))/(TMPA*RSUM(I,J,K))
ENDDO
ENDDO
ENDDO
ENDIF
ENDIF

! Extract predicted temperature at next time step from Equation of State

IF (.NOT. ISOTHERMAL) THEN
IF (N_SPECIES==0) THEN
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
TMP(I,J,K) = PBAR(K,PRESSURE_ZONE(I,J,K))/(RSUM0*RHO(I,J,K))
ENDDO
ENDDO
ENDDO
ELSE
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
TMP(I,J,K) = PBAR(K,PRESSURE_ZONE(I,J,K))/(RSUM(I,J,K)*RHO(I,J,K))
ENDDO
ENDDO
ENDDO
ENDIF
TMP = MAX(TMPMIN,MIN(TMPMAX,TMP))
ENDIF

ENDIF SELECT_SUBSTEP

TUSED(3,NM)=TUSED(3,NM)+SECOND()-TNOW

END SUBROUTINE DENSITY_TVD


SUBROUTINE SCALARF(NM)
USE COMP_FUNCTIONS, ONLY: SECOND
USE GLOBAL_CONSTANTS, ONLY: N_SPECIES,PREDICTOR,CORRECTOR,FLUX_LIMITER,NULL_BOUNDARY,POROUS_BOUNDARY,OPEN_BOUNDARY, &
LU_ERR,INTERPOLATED_BOUNDARY,MYID,NO_MASS_FLUX,SOLID_BOUNDARY,INTERPOLATED_SURF_INDEX, &
OPEN_SURF_INDEX,MIRROR_BOUNDARY,MIRROR_SURF_INDEX,SPECIFIED_MASS_FLUX,INFLOW_OUTFLOW, &
CYLINDRICAL,INTERPOLATED_BC,TUSED

! Computes the scalar advective and diffusive flux
INTEGER, INTENT(IN) :: NM
INTEGER :: I,J,K,N,II,JJ,KK,IOR,IW,IIG,JJG,KKG,ICM,ICP,IBC,METHOD_ID
REAL(EB) :: ZZ(4),TNOW
REAL(EB), POINTER, DIMENSION(:,:,:) :: RHOP,UU,VV,WW
REAL(EB), POINTER, DIMENSION(:,:,:,:) :: RHOYYP,YYP,FX,FY,FZ
TYPE (SURFACE_TYPE), POINTER :: SF

! Notes:
!
! At the moment (FDS 5.4.2) it is critical that SCALARF stay WITHIN the CHANGE_TIME_STEP loop. I am writing
! myself this note because everytime I go back and try to debug something I wonder why SCALARF just does not
! sit outside this loop in the same way as MASS_FINITE_DIFFERENCES. The reason is that DIVERGENCE_PART_1
! initializes the FX (flux) arrays and adds the diffusive flux to this array. So, if SCALARF is computed
! outside the CHANGE_TIME_STEP loop and we happen to iterate on the loop then we clear the advective flux
! and we are left with only the diffusive flux.

TNOW=SECOND()
CALL POINT_TO_MESH(NM)

FX => SCALAR_SAVE1
FY => SCALAR_SAVE2
FZ => SCALAR_SAVE3
RHOYYP => SCALAR_SAVE4
!! eliminate diffusion for testing
!FX = 0._EB
!FY = 0._EB
!FZ = 0._EB

IF (PREDICTOR) THEN
UU => U
VV => V
WW => W
RHOP => RHO
IF (N_SPECIES > 0) YYP => YY
ELSE
UU => US
VV => VS
WW => WS
RHOP => RHOS
IF (N_SPECIES > 0) YYP => YYS
ENDIF

! Notes on CELL_INDEX and WALL_INDEX:
!
! Consider a flux normal to the x-direction. The cell index on the 'minus' side
! of the face and the cell index on the 'plus' side of the face are labeled ICM
! and ICP, respectively. WALL_INDEX(:,-1)==0 states that the face on the left (-1)
! side of the cell is NOT a wall. WALL_INDEX(:,+1)==0 states that the face on
! the right (+1) side of the cell is NOT a wall. Thus, the IF statements in the
! loops below check to see if we indeed have two gas phase cells to the left AND
! to the right of the face. If this is not true, then we use first-order
! upwinding (Godunov's scheme), FLUX_LIMITER=1, which only requires one gas phase cell.
!
! |-------------|-------------|-------------|-------------|
! | | | | |
! | | | | |
! | o x o | o x o |
! | | ICM=I | ICP=I+1 | |
! | | | | |
! |-------------|-------------|-------------|-------------|
! ^ FX(I) ^
! WALL_INDEX(ICM,-1) WALL_INDEX(ICP,+1)
!
! Note that if WALL_INDEX(ICM,-1)=0, then this indicates that the cell to the left
! of this face is gas phase.

! Density flux

DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBM1
ZZ(1:4) = RHOP(I-1:I+2,J,K)
ICM = CELL_INDEX(I,J,K)
ICP = CELL_INDEX(I+1,J,K)
IF (WALL_INDEX(ICM,-1)==0 .AND. WALL_INDEX(ICP,1)==0) THEN
FX(I,J,K,0) = R(I)*UU(I,J,K)*SCALAR_FACE_VALUE(UU(I,J,K),ZZ,FLUX_LIMITER)
ELSE
FX(I,J,K,0) = R(I)*UU(I,J,K)*SCALAR_FACE_VALUE(UU(I,J,K),ZZ,1)
ENDIF
ENDDO
ENDDO
ENDDO

DO K=1,KBAR
DO J=1,JBM1
DO I=1,IBAR
ZZ(1:4) = RHOP(I,J-1:J+2,K)
ICM = CELL_INDEX(I,J,K)
ICP = CELL_INDEX(I,J+1,K)
IF (WALL_INDEX(ICM,-2)==0 .AND. WALL_INDEX(ICP,2)==0) THEN
FY(I,J,K,0) = VV(I,J,K)*SCALAR_FACE_VALUE(VV(I,J,K),ZZ,FLUX_LIMITER)
ELSE
FY(I,J,K,0) = VV(I,J,K)*SCALAR_FACE_VALUE(VV(I,J,K),ZZ,1)
ENDIF
ENDDO
ENDDO
ENDDO

DO K=1,KBM1
DO J=1,JBAR
DO I=1,IBAR
ZZ(1:4) = RHOP(I,J,K-1:K+2)
ICM = CELL_INDEX(I,J,K)
ICP = CELL_INDEX(I,J,K+1)
IF (WALL_INDEX(ICM,-3)==0 .AND. WALL_INDEX(ICP,3)==0) THEN
FZ(I,J,K,0) = WW(I,J,K)*SCALAR_FACE_VALUE(WW(I,J,K),ZZ,FLUX_LIMITER)
ELSE
FZ(I,J,K,0) = WW(I,J,K)*SCALAR_FACE_VALUE(WW(I,J,K),ZZ,1)
ENDIF
ENDDO
ENDDO
ENDDO

! Compute mass fluxes at boundaries

WALL_LOOP: DO IW=1,NWC
IF (BOUNDARY_TYPE(IW)==NULL_BOUNDARY .OR. BOUNDARY_TYPE(IW)==POROUS_BOUNDARY) CYCLE WALL_LOOP
II = IJKW(1,IW)
JJ = IJKW(2,IW)
KK = IJKW(3,IW)
IBC = IJKW(5,IW)
IIG = IJKW(6,IW)
JJG = IJKW(7,IW)
KKG = IJKW(8,IW)
IOR = IJKW(4,IW)
! copied from wall.f90 ---
IF (BOUNDARY_TYPE(IW)/=SOLID_BOUNDARY) THEN
IF (BOUNDARY_TYPE(IW)==INTERPOLATED_BOUNDARY) IBC = INTERPOLATED_SURF_INDEX
IF (BOUNDARY_TYPE(IW)==MIRROR_BOUNDARY) IBC = MIRROR_SURF_INDEX
ENDIF
SF => SURFACE(IBC)
METHOD_ID = SF%SPECIES_BC_INDEX
IF (BOUNDARY_TYPE(IW)==OPEN_BOUNDARY) METHOD_ID = INFLOW_OUTFLOW

! Apply the different species boundary conditions
METHOD_OF_MASS_TRANSFER: SELECT CASE(METHOD_ID)

CASE (NO_MASS_FLUX) METHOD_OF_MASS_TRANSFER

SELECT CASE(IOR)
CASE( 1)
FX(II,JJ,KK,0) = 0._EB
CASE(-1)
FX(II-1,JJ,KK,0) = 0._EB
CASE( 2)
FY(II,JJ,KK,0) = 0._EB
CASE(-2)
FY(II,JJ-1,KK,0) = 0._EB
CASE( 3)
FZ(II,JJ,KK,0) = 0._EB
CASE(-3)
FZ(II,JJ,KK-1,0) = 0._EB
END SELECT

CASE (SPECIFIED_MASS_FLUX) METHOD_OF_MASS_TRANSFER

SELECT CASE(IOR)
CASE( 1)
FX(II,JJ,KK,0) = SUM(MASSFLUX(IW,:))*R(II)
CASE(-1)
FX(II-1,JJ,KK,0) = -SUM(MASSFLUX(IW,:))*R(II-1)
CASE( 2)
FY(II,JJ,KK,0) = SUM(MASSFLUX(IW,:))
CASE(-2)
FY(II,JJ-1,KK,0) = -SUM(MASSFLUX(IW,:))
CASE( 3)
FZ(II,JJ,KK,0) = SUM(MASSFLUX(IW,:))
CASE(-3)
FZ(II,JJ,KK-1,0) = -SUM(MASSFLUX(IW,:))
END SELECT

CASE (INTERPOLATED_BC) METHOD_OF_MASS_TRANSFER

SELECT CASE(IOR)
CASE( 1)
ZZ(2) = RHO_W(IW)
ZZ(3) = RHOP(IIG,JJG,KKG)
FX(II,JJ,KK,0) = UVW_SAVE(IW)*SCALAR_FACE_VALUE(UVW_SAVE(IW),ZZ,1)*R(II)
CASE(-1)
ZZ(2) = RHOP(IIG,JJG,KKG)
ZZ(3) = RHO_W(IW)
FX(II-1,JJ,KK,0) = UVW_SAVE(IW)*SCALAR_FACE_VALUE(UVW_SAVE(IW),ZZ,1)*R(II-1)
CASE( 2)
ZZ(2) = RHO_W(IW)
ZZ(3) = RHOP(IIG,JJG,KKG)
FY(II,JJ,KK,0) = UVW_SAVE(IW)*SCALAR_FACE_VALUE(UVW_SAVE(IW),ZZ,1)
CASE(-2)
ZZ(2) = RHOP(IIG,JJG,KKG)
ZZ(3) = RHO_W(IW)
FY(II,JJ-1,KK,0) = UVW_SAVE(IW)*SCALAR_FACE_VALUE(UVW_SAVE(IW),ZZ,1)
CASE( 3)
ZZ(2) = RHO_W(IW)
ZZ(3) = RHOP(IIG,JJG,KKG)
FZ(II,JJ,KK,0) = UVW_SAVE(IW)*SCALAR_FACE_VALUE(UVW_SAVE(IW),ZZ,1)
CASE(-3)
ZZ(2) = RHOP(IIG,JJG,KKG)
ZZ(3) = RHO_W(IW)
FZ(II,JJ,KK-1,0) = UVW_SAVE(IW)*SCALAR_FACE_VALUE(UVW_SAVE(IW),ZZ,1)
END SELECT

CASE DEFAULT METHOD_OF_MASS_TRANSFER

SELECT CASE(IOR)
CASE( 1)
ZZ(2) = RHO_W(IW)
ZZ(3) = RHOP(IIG,JJG,KKG)
FX(II,JJ,KK,0) = UU(II,JJ,KK)*SCALAR_FACE_VALUE(UU(II,JJ,KK),ZZ,1)*R(II)
CASE(-1)
ZZ(2) = RHOP(IIG,JJG,KKG)
ZZ(3) = RHO_W(IW)
FX(II-1,JJ,KK,0) = UU(II-1,JJ,KK)*SCALAR_FACE_VALUE(UU(II-1,JJ,KK),ZZ,1)*R(II-1)
CASE( 2)
ZZ(2) = RHO_W(IW)
ZZ(3) = RHOP(IIG,JJG,KKG)
FY(II,JJ,KK,0) = VV(II,JJ,KK)*SCALAR_FACE_VALUE(VV(II,JJ,KK),ZZ,1)
CASE(-2)
ZZ(2) = RHOP(IIG,JJG,KKG)
ZZ(3) = RHO_W(IW)
FY(II,JJ-1,KK,0) = VV(II,JJ-1,KK)*SCALAR_FACE_VALUE(VV(II,JJ-1,KK),ZZ,1)
CASE( 3)
ZZ(2) = RHO_W(IW)
ZZ(3) = RHOP(IIG,JJG,KKG)
FZ(II,JJ,KK,0) = WW(II,JJ,KK)*SCALAR_FACE_VALUE(WW(II,JJ,KK),ZZ,1)
CASE(-3)
ZZ(2) = RHOP(IIG,JJG,KKG)
ZZ(3) = RHO_W(IW)
FZ(II,JJ,KK-1,0) = WW(II,JJ,KK-1)*SCALAR_FACE_VALUE(WW(II,JJ,KK-1),ZZ,1)
END SELECT

END SELECT METHOD_OF_MASS_TRANSFER

ENDDO WALL_LOOP

! Compute species advective fluxes at interior cell faces and
! add to diffusive flux which is already stored in FX,FY,FZ.

DO N=1,N_SPECIES
DO K=0,KBP1
DO J=0,JBP1
DO I=0,IBP1
RHOYYP(I,J,K,N) = RHOP(I,J,K)*YYP(I,J,K,N)
ENDDO
ENDDO
ENDDO
ENDDO

SPECIES_LOOP: DO N=1,N_SPECIES

DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBM1
ZZ(1:4) = RHOYYP(I-1:I+2,J,K,N)
ICM = CELL_INDEX(I,J,K)
ICP = CELL_INDEX(I+1,J,K)
IF (WALL_INDEX(ICM,-1)==0 .AND. WALL_INDEX(ICP,1)==0) THEN
FX(I,J,K,N) = R(I)*(FX(I,J,K,N) + UU(I,J,K)*SCALAR_FACE_VALUE(UU(I,J,K),ZZ,FLUX_LIMITER))
ELSE
FX(I,J,K,N) = R(I)*(FX(I,J,K,N) + UU(I,J,K)*SCALAR_FACE_VALUE(UU(I,J,K),ZZ,1))
ENDIF
ENDDO
ENDDO
ENDDO

DO K=1,KBAR
DO J=1,JBM1
DO I=1,IBAR
ZZ(1:4) = RHOYYP(I,J-1:J+2,K,N)
ICM = CELL_INDEX(I,J,K)
ICP = CELL_INDEX(I,J+1,K)
IF (WALL_INDEX(ICM,-2)==0 .AND. WALL_INDEX(ICP,2)==0) THEN
FY(I,J,K,N) = FY(I,J,K,N) + VV(I,J,K)*SCALAR_FACE_VALUE(VV(I,J,K),ZZ,FLUX_LIMITER)
ELSE
FY(I,J,K,N) = FY(I,J,K,N) + VV(I,J,K)*SCALAR_FACE_VALUE(VV(I,J,K),ZZ,1)
ENDIF
ENDDO
ENDDO
ENDDO

DO K=1,KBM1
DO J=1,JBAR
DO I=1,IBAR
ZZ(1:4) = RHOYYP(I,J,K-1:K+2,N)
ICM = CELL_INDEX(I,J,K)
ICP = CELL_INDEX(I,J,K+1)
IF (WALL_INDEX(ICM,-3)==0 .AND. WALL_INDEX(ICP,3)==0) THEN
FZ(I,J,K,N) = FZ(I,J,K,N) + WW(I,J,K)*SCALAR_FACE_VALUE(WW(I,J,K),ZZ,FLUX_LIMITER)
ELSE
FZ(I,J,K,N) = FZ(I,J,K,N) + WW(I,J,K)*SCALAR_FACE_VALUE(WW(I,J,K),ZZ,1)
ENDIF
ENDDO
ENDDO
ENDDO

! Compute species fluxes at boundaries

WALL_LOOP2: DO IW=1,NWC
IF (BOUNDARY_TYPE(IW)==NULL_BOUNDARY .OR. BOUNDARY_TYPE(IW)==POROUS_BOUNDARY) CYCLE WALL_LOOP2
II = IJKW(1,IW)
JJ = IJKW(2,IW)
KK = IJKW(3,IW)
IOR = IJKW(4,IW)
IBC = IJKW(5,IW)
IIG = IJKW(6,IW)
JJG = IJKW(7,IW)
KKG = IJKW(8,IW)
! copied from wall.f90 ---
IF (BOUNDARY_TYPE(IW)/=SOLID_BOUNDARY) THEN
IF (BOUNDARY_TYPE(IW)==INTERPOLATED_BOUNDARY) IBC = INTERPOLATED_SURF_INDEX
IF (BOUNDARY_TYPE(IW)==MIRROR_BOUNDARY) IBC = MIRROR_SURF_INDEX
ENDIF
SF => SURFACE(IBC)
METHOD_ID = SF%SPECIES_BC_INDEX
IF (BOUNDARY_TYPE(IW)==OPEN_BOUNDARY) METHOD_ID = INFLOW_OUTFLOW

! Apply the different species boundary conditions
METHOD_OF_MASS_TRANSFER2: SELECT CASE(METHOD_ID)

CASE (NO_MASS_FLUX) METHOD_OF_MASS_TRANSFER2

SELECT CASE(IOR)
CASE( 1)
FX(II,JJ,KK,N) = 0._EB
CASE(-1)
FX(II-1,JJ,KK,N) = 0._EB
CASE( 2)
FY(II,JJ,KK,N) = 0._EB
CASE(-2)
FY(II,JJ-1,KK,N) = 0._EB
CASE( 3)
FZ(II,JJ,KK,N) = 0._EB
CASE(-3)
FZ(II,JJ,KK-1,N) = 0._EB
END SELECT

CASE (SPECIFIED_MASS_FLUX) METHOD_OF_MASS_TRANSFER2

SELECT CASE(IOR)
CASE( 1)
FX(II,JJ,KK,N) = MASSFLUX(IW,N)*R(II)
CASE(-1)
FX(II-1,JJ,KK,N) = -MASSFLUX(IW,N)*R(II-1)
CASE( 2)
FY(II,JJ,KK,N) = MASSFLUX(IW,N)
CASE(-2)
FY(II,JJ-1,KK,N) = -MASSFLUX(IW,N)
CASE( 3)
FZ(II,JJ,KK,N) = MASSFLUX(IW,N)
CASE(-3)
FZ(II,JJ,KK-1,N) = -MASSFLUX(IW,N)
END SELECT

CASE (INTERPOLATED_BC) METHOD_OF_MASS_TRANSFER2

SELECT CASE(IOR)
CASE( 1)
ZZ(2) = RHO_W(IW)*YY_W(IW,N)
ZZ(3) = RHOYYP(IIG,JJG,KKG,N)
FX(II,JJ,KK,N) = (FX(II,JJ,KK,N) + UVW_SAVE(IW)*SCALAR_FACE_VALUE(UVW_SAVE(IW),ZZ,1))*R(II)
CASE(-1)
ZZ(2) = RHOYYP(IIG,JJG,KKG,N)
ZZ(3) = RHO_W(IW)*YY_W(IW,N)
FX(II-1,JJ,KK,N) = (FX(II-1,JJ,KK,N) + UVW_SAVE(IW)*SCALAR_FACE_VALUE(UVW_SAVE(IW),ZZ,1))*R(II-1)
CASE( 2)
ZZ(2) = RHO_W(IW)*YY_W(IW,N)
ZZ(3) = RHOYYP(IIG,JJG,KKG,N)
FY(II,JJ,KK,N) = FY(II,JJ,KK,N) + UVW_SAVE(IW)*SCALAR_FACE_VALUE(UVW_SAVE(IW),ZZ,1)
CASE(-2)
ZZ(2) = RHOYYP(IIG,JJG,KKG,N)
ZZ(3) = RHO_W(IW)*YY_W(IW,N)
FY(II,JJ-1,KK,N) = FY(II,JJ-1,KK,N) + UVW_SAVE(IW)*SCALAR_FACE_VALUE(UVW_SAVE(IW),ZZ,1)
CASE( 3)
ZZ(2) = RHO_W(IW)*YY_W(IW,N)
ZZ(3) = RHOYYP(IIG,JJG,KKG,N)
FZ(II,JJ,KK,N) = FZ(II,JJ,KK,N) + UVW_SAVE(IW)*SCALAR_FACE_VALUE(UVW_SAVE(IW),ZZ,1)
CASE(-3)
ZZ(2) = RHOYYP(IIG,JJG,KKG,N)
ZZ(3) = RHO_W(IW)*YY_W(IW,N)
FZ(II,JJ,KK-1,N) = FZ(II,JJ,KK-1,N) + UVW_SAVE(IW)*SCALAR_FACE_VALUE(UVW_SAVE(IW),ZZ,1)
END SELECT

CASE DEFAULT METHOD_OF_MASS_TRANSFER2 ! handles SPECIFIED_MASS_FRACTION also

SELECT CASE(IOR)
CASE( 1)
ZZ(2) = RHO_W(IW)*YY_W(IW,N)
ZZ(3) = RHOYYP(IIG,JJG,KKG,N)
FX(II,JJ,KK,N) = (FX(II,JJ,KK,N) + UU(II,JJ,KK)*SCALAR_FACE_VALUE(UU(II,JJ,KK),ZZ,1))*R(II)
CASE(-1)
ZZ(2) = RHOYYP(IIG,JJG,KKG,N)
ZZ(3) = RHO_W(IW)*YY_W(IW,N)
FX(II-1,JJ,KK,N) = (FX(II-1,JJ,KK,N) + UU(II-1,JJ,KK)*SCALAR_FACE_VALUE(UU(II-1,JJ,KK),ZZ,1))*R(II-1)
CASE( 2)
ZZ(2) = RHO_W(IW)*YY_W(IW,N)
ZZ(3) = RHOYYP(IIG,JJG,KKG,N)
FY(II,JJ,KK,N) = FY(II,JJ,KK,N) + VV(II,JJ,KK)*SCALAR_FACE_VALUE(VV(II,JJ,KK),ZZ,1)
CASE(-2)
ZZ(2) = RHOYYP(IIG,JJG,KKG,N)
ZZ(3) = RHO_W(IW)*YY_W(IW,N)
FY(II,JJ-1,KK,N) = FY(II,JJ-1,KK,N) + VV(II,JJ-1,KK)*SCALAR_FACE_VALUE(VV(II,JJ-1,KK),ZZ,1)
CASE( 3)
ZZ(2) = RHO_W(IW)*YY_W(IW,N)
ZZ(3) = RHOYYP(IIG,JJG,KKG,N)
FZ(II,JJ,KK,N) = FZ(II,JJ,KK,N) + WW(II,JJ,KK)*SCALAR_FACE_VALUE(WW(II,JJ,KK),ZZ,1)
CASE(-3)
ZZ(2) = RHOYYP(IIG,JJG,KKG,N)
ZZ(3) = RHO_W(IW)*YY_W(IW,N)
FZ(II,JJ,KK-1,N) = FZ(II,JJ,KK-1,N) + WW(II,JJ,KK-1)*SCALAR_FACE_VALUE(WW(II,JJ,KK-1),ZZ,1)
END SELECT

END SELECT METHOD_OF_MASS_TRANSFER2

ENDDO WALL_LOOP2

ENDDO SPECIES_LOOP

TUSED(3,NM)=TUSED(3,NM)+SECOND()-TNOW
END SUBROUTINE SCALARF


REAL(EB) FUNCTION SCALAR_FACE_VALUE(A,U,LIMITER)

REAL(EB), INTENT(IN) :: A,U(4)
INTEGER, INTENT(IN) :: LIMITER

! local
REAL(EB) :: R,B,DU_UP,DU_LOC

! This function computes the scalar value on a face.
! The scalar is denoted U, and the velocity is denoted A.
! The divergence (computed elsewhere) uses a central difference across
! the cell subject to a flux LIMITER. The flux LIMITER choices are:
!
! LIMITER = 0 implements central differencing
! LIMITER = 1 implements first-order upwinding (monotone)
! LIMITER = 2 implements the SUPERBEE (SB) LIMITER of Roe
! LIMITER = 3 implements the MINMOD LIMITER
! LIMITER = 4 implements the CHARM LIMITER
!
! location of face
!
! f
! | o | o | o | o |
! A
! U(1) U(2) U(3) U(4)

IF (A>0._EB) THEN

! the flow is left to right
DU_UP = U(2)-U(1)
DU_LOC = U(3)-U(2)

R = 0._EB
B = 0._EB

SELECT CASE(LIMITER)
CASE(0) ! central differencing
SCALAR_FACE_VALUE = 0.5_EB*(U(2)+U(3))
CASE(1) ! first-order upwinding
SCALAR_FACE_VALUE = U(2)
CASE(2) ! SUPERBEE, Roe (1986)
IF (ABS(DU_LOC)>0._EB) R = DU_UP/DU_LOC
B = MAX(0._EB,MIN(2._EB*R,1._EB),MIN(R,2._EB))
SCALAR_FACE_VALUE = U(2) + 0.5_EB*B*(U(3)-U(2))
CASE(3) ! MINMOD
IF (ABS(DU_LOC)>0._EB) R = DU_UP/DU_LOC
B = MAX(0._EB,MIN(1._EB,R))
SCALAR_FACE_VALUE = U(2) + 0.5_EB*B*(U(3)-U(2))
CASE(4) ! CHARM
IF (ABS(DU_UP)>0._EB) R = DU_LOC/DU_UP
IF (R>0._EB) B = R*(3._EB*R+1._EB)/((R+1._EB)**2)
SCALAR_FACE_VALUE = U(2) + 0.5_EB*B*(U(2)-U(1))
END SELECT

ELSE

! the flow is right to left
DU_UP = U(4)-U(3)
DU_LOC = U(3)-U(2)

R = 0._EB
B = 0._EB

SELECT CASE(LIMITER)
CASE(0) ! central differencing
SCALAR_FACE_VALUE = 0.5_EB*(U(2)+U(3))
CASE(1) ! first-order upwinding
SCALAR_FACE_VALUE = U(3)
CASE(2) ! SUPERBEE, Roe (1986)
IF (ABS(DU_LOC)>0._EB) R = DU_UP/DU_LOC
B = MAX(0._EB,MIN(2._EB*R,1._EB),MIN(R,2._EB))
SCALAR_FACE_VALUE = U(3) + 0.5_EB*B*(U(2)-U(3))
CASE(3) ! MINMOD
IF (ABS(DU_LOC)>0._EB) R = DU_UP/DU_LOC
B = MAX(0._EB,MIN(1._EB,R))
SCALAR_FACE_VALUE = U(3) + 0.5_EB*B*(U(2)-U(3))
CASE(4) ! CHARM
IF (ABS(DU_UP)>0._EB) R = DU_LOC/DU_UP
IF (R>0._EB) B = R*(3._EB*R+1._EB)/((R+1._EB)**2)
SCALAR_FACE_VALUE = U(3) + 0.5_EB*B*(U(3)-U(4))
END SELECT

ENDIF

END FUNCTION SCALAR_FACE_VALUE



REAL(EB) FUNCTION MINVAL_GASPHASE(PHI)

REAL(EB), INTENT(IN) :: PHI(0:IBP1,0:JBP1,0:KBP1)

! local
INTEGER :: I,J,K

MINVAL_GASPHASE = HUGE(1._EB)
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
IF (.NOT.SOLID(CELL_INDEX(I,J,K))) THEN
IF (PHI(I,J,K)<MINVAL_GASPHASE) THEN
MINVAL_GASPHASE = PHI(I,J,K)
ENDIF
ENDIF
ENDDO
ENDDO
ENDDO

END FUNCTION MINVAL_GASPHASE


REAL(EB) FUNCTION MAXVAL_GASPHASE(PHI)

REAL(EB), INTENT(IN) :: PHI(0:IBP1,0:JBP1,0:KBP1)

! local
INTEGER :: I,J,K

MAXVAL_GASPHASE = -HUGE(1._EB)
DO K=1,KBAR
DO J=1,JBAR
DO I=1,IBAR
IF (.NOT.SOLID(CELL_INDEX(I,J,K))) THEN
IF (PHI(I,J,K)>MAXVAL_GASPHASE) THEN
MAXVAL_GASPHASE = PHI(I,J,K)
ENDIF
ENDIF
ENDDO
ENDDO
ENDDO

END FUNCTION MAXVAL_GASPHASE


!---------------------------------------------------------------------------

SUBROUTINE GET_REV_mass(MODULE_REV,MODULE_DATE)
INTEGER,INTENT(INOUT) :: MODULE_REV
CHARACTER(255),INTENT(INOUT) :: MODULE_DATE
WRITE(MODULE_DATE,'(A)') massrev(INDEX(massrev,':')+1:LEN_TRIM(massrev)-2)
READ (MODULE_DATE,'(I5)') MODULE_REV
WRITE(MODULE_DATE,'(A)') massdate
END SUBROUTINE GET_REV_mass

END MODULE MASS
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Change log

r5272 by randy.mcdermott on Dec 09, 2009   Diff
FDS Source: fix bug in V_CELL in mass.f90
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Older revisions

r5265 by rog...@uni-wuppertal.de on Dec 09, 2009   Diff
FDS Source: Add/Correct OpenMP
compiler directives to mass.f90
r5263 by randy.mcdermott on Dec 08, 2009   Diff
FDS Source: fix volume correction in
CHECK_DENSITY; add Monin-Obukhov for
rough surfaces; add mean forcing
(nudging)
r5257 by randy.mcdermott on Dec 08, 2009   Diff
FDS Source: add cell volume correction
to CHECK_DENSITY
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