471 lines
12 KiB
Fortran
471 lines
12 KiB
Fortran
! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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!
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! Auxiliary Routines File
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!
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! Generated by KPP-2.2 symbolic chemistry Kinetics PreProcessor
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! (http://www.cs.vt.edu/~asandu/Software/KPP)
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! KPP is distributed under GPL, the general public licence
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! (http://www.gnu.org/copyleft/gpl.html)
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! (C) 1995-1997, V. Damian & A. Sandu, CGRER, Univ. Iowa
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! (C) 1997-2005, A. Sandu, Michigan Tech, Virginia Tech
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! With important contributions from:
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! M. Damian, Villanova University, USA
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! R. Sander, Max-Planck Institute for Chemistry, Mainz, Germany
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!
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! File : gckpp_adj_Util.f90
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! Time : Tue May 14 19:43:54 2013
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! Working directory : /home/daven/kpp-2.2.1/GC_KPP
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! Equation file : gckpp_adj.kpp
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! Output root filename : gckpp_adj
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!
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! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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MODULE gckpp_adj_Util
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USE gckpp_adj_Parameters
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IMPLICIT NONE
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CONTAINS
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! User INLINED Utility Functions
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! End INLINED Utility Functions
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! Need to add this to the INLINE
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!------------------------------------------------------------------------------
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SUBROUTINE INIT_KPP( )
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!
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!******************************************************************************
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! Subroutine INIT_KPP allocates global arrays (dkh, 06/07/06)
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!
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!
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! NOTES:
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! (1 ) Should make this an inlines utility?
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! (2 ) Use LAMBDA_P instead of SUM_LAMBDA. (dkh, 10/16/06)
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! (3 ) Now define JCOEFF here and initialize RCONST2RRATE array. (dkh, 10/16/06)
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! (4 ) Update to GCv8, now use VAR_R_ADJ instead of LAMBDA_P. It is not
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! dynamically allocated.
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!******************************************************************************
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!
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! Reference to f90 modules
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! Modified for reaction rate sensitivities (tww, 05/08/12)
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USE GCKPP_ADJ_GLOBAL, ONLY : NCOEFF, NCOEFF_EM
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USE GCKPP_ADJ_GLOBAL, ONLY : JCOEFF
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USE LOGICAL_ADJ_MOD, ONLY : LADJ_RRATE
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USE ADJ_ARRAYS_MOD, ONLY : ID_RRATES, NRRATES
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USE GCKPP_ADJ_GLOBAL, ONLY : DMAP
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USE GCKPP_ADJ_PARAMETERS
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! Local variables
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INTEGER :: I
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!=================================================================
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! INIT_KPP begins here!
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!=================================================================
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! Select ALL reaction rate constants
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! Grab emissions rates here (tww, 05/08/12)
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DO I = 1, NCOEFF_EM-1
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JCOEFF(I) = I + 228
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ENDDO
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JCOEFF(NCOEFF_EM) = 244
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! Get reaction rates from input.gcadj (tww, 05/08/12)
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IF ( LADJ_RRATE ) THEN
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DO I = NCOEFF_EM+1, NCOEFF_EM+NRRATES
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JCOEFF(I) = ID_RRATES(I-NCOEFF_EM)
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ENDDO
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ENDIF
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! emissions
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DMAP(1 ) = ind_NO
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DMAP(2 ) = ind_NO2
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DMAP(3 ) = ind_CO
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DMAP(4 ) = ind_ALK4
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DMAP(5 ) = ind_ISOP
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DMAP(6 ) = ind_ACET
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DMAP(7 ) = ind_PRPE
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DMAP(8 ) = ind_C3H8
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DMAP(9 ) = ind_C2H6
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DMAP(10) = ind_MEK
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DMAP(11) = ind_ALD2
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DMAP(12) = ind_CH2O
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DMAP(13) = ind_O3
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DMAP(14) = ind_HNO3
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! Return to calling program
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END SUBROUTINE INIT_KPP
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!------------------------------------------------------------------------------
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! Utility Functions from KPP_HOME/util/util
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! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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!
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! UTIL - Utility functions
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! Arguments :
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!
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! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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! ****************************************************************
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!
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! InitSaveData - Opens the data file for writing
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! Parameters :
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!
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! ****************************************************************
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SUBROUTINE InitSaveData ()
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USE gckpp_adj_Parameters
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open(10, file='gckpp_adj.dat')
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END SUBROUTINE InitSaveData
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! End of InitSaveData function
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! ****************************************************************
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! ****************************************************************
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!
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! SaveData - Write LOOKAT species in the data file
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! Parameters :
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!
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! ****************************************************************
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SUBROUTINE SaveData ()
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USE gckpp_adj_Global
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USE gckpp_adj_Monitor
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INTEGER i
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WRITE(10,999) (TIME-TSTART)/3600.D0, &
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(C(LOOKAT(i))/CFACTOR, i=1,NLOOKAT)
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999 FORMAT(E24.16,100(1X,E24.16))
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END SUBROUTINE SaveData
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! End of SaveData function
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! ****************************************************************
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! ****************************************************************
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!
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! CloseSaveData - Close the data file
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! Parameters :
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!
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! ****************************************************************
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SUBROUTINE CloseSaveData ()
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USE gckpp_adj_Parameters
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CLOSE(10)
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END SUBROUTINE CloseSaveData
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! End of CloseSaveData function
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! ****************************************************************
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! ****************************************************************
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!
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! GenerateMatlab - Generates MATLAB file to load the data file
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! Parameters :
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! It will have a character string to prefix each
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! species name with.
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!
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! ****************************************************************
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SUBROUTINE GenerateMatlab ( PREFIX )
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USE gckpp_adj_Parameters
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USE gckpp_adj_Global
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USE gckpp_adj_Monitor
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CHARACTER(LEN=8) PREFIX
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INTEGER i
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open(20, file='gckpp_adj.m')
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write(20,*) 'load gckpp_adj.dat;'
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write(20,990) PREFIX
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990 FORMAT(A1,'c = gckpp_adj;')
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write(20,*) 'clear gckpp_adj;'
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write(20,991) PREFIX, PREFIX
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991 FORMAT(A1,'t=',A1,'c(:,1);')
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write(20,992) PREFIX
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992 FORMAT(A1,'c(:,1)=[];')
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do i=1,NLOOKAT
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write(20,993) PREFIX, SPC_NAMES(LOOKAT(i)), PREFIX, i
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993 FORMAT(A1,A6,' = ',A1,'c(:,',I2,');')
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end do
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CLOSE(20)
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END SUBROUTINE GenerateMatlab
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! End of GenerateMatlab function
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! ****************************************************************
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! End Utility Functions from KPP_HOME/util/util
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! End of UTIL function
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! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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!
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! Shuffle_user2kpp - function to copy concentrations from USER to KPP
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! Arguments :
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! V_USER - Concentration of variable species in USER's order
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! V - Concentrations of variable species (local)
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!
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! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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SUBROUTINE Shuffle_user2kpp ( V_USER, V )
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! V_USER - Concentration of variable species in USER's order
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REAL(kind=dp) :: V_USER(NVAR)
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! V - Concentrations of variable species (local)
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REAL(kind=dp) :: V(NVAR)
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V(52) = V_USER(1)
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V(49) = V_USER(2)
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V(71) = V_USER(3)
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V(22) = V_USER(4)
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V(62) = V_USER(5)
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V(53) = V_USER(6)
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V(23) = V_USER(7)
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V(16) = V_USER(8)
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V(69) = V_USER(9)
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V(47) = V_USER(10)
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V(1) = V_USER(11)
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V(2) = V_USER(12)
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V(3) = V_USER(13)
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V(4) = V_USER(14)
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V(5) = V_USER(15)
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V(6) = V_USER(16)
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V(7) = V_USER(17)
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V(8) = V_USER(18)
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V(9) = V_USER(19)
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V(10) = V_USER(20)
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V(74) = V_USER(21)
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V(35) = V_USER(22)
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V(88) = V_USER(23)
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V(50) = V_USER(24)
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V(36) = V_USER(25)
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V(19) = V_USER(26)
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V(17) = V_USER(27)
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V(61) = V_USER(28)
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V(24) = V_USER(29)
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V(56) = V_USER(30)
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V(29) = V_USER(31)
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V(84) = V_USER(32)
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V(58) = V_USER(33)
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V(66) = V_USER(34)
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V(41) = V_USER(35)
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V(67) = V_USER(36)
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V(39) = V_USER(37)
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V(65) = V_USER(38)
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V(43) = V_USER(39)
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V(46) = V_USER(40)
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V(60) = V_USER(41)
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V(80) = V_USER(42)
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V(55) = V_USER(43)
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V(78) = V_USER(44)
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V(26) = V_USER(45)
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V(27) = V_USER(46)
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V(86) = V_USER(47)
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V(76) = V_USER(48)
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V(75) = V_USER(49)
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V(90) = V_USER(50)
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V(28) = V_USER(51)
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V(59) = V_USER(52)
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V(40) = V_USER(53)
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V(77) = V_USER(54)
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V(51) = V_USER(55)
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V(25) = V_USER(56)
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V(85) = V_USER(57)
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V(82) = V_USER(58)
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V(87) = V_USER(59)
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V(89) = V_USER(60)
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V(83) = V_USER(61)
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V(21) = V_USER(62)
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V(44) = V_USER(63)
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V(70) = V_USER(64)
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V(37) = V_USER(65)
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V(18) = V_USER(66)
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V(63) = V_USER(67)
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V(48) = V_USER(68)
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V(38) = V_USER(69)
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V(54) = V_USER(70)
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V(73) = V_USER(71)
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V(72) = V_USER(72)
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V(30) = V_USER(73)
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V(31) = V_USER(74)
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V(32) = V_USER(75)
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V(68) = V_USER(76)
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V(81) = V_USER(77)
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V(57) = V_USER(78)
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V(79) = V_USER(79)
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V(45) = V_USER(80)
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V(33) = V_USER(81)
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V(64) = V_USER(82)
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V(42) = V_USER(83)
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V(34) = V_USER(84)
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V(20) = V_USER(85)
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V(11) = V_USER(86)
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V(12) = V_USER(87)
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V(13) = V_USER(88)
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V(14) = V_USER(89)
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END SUBROUTINE Shuffle_user2kpp
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! End of Shuffle_user2kpp function
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! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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!
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! Shuffle_kpp2user - function to restore concentrations from KPP to USER
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! Arguments :
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! V - Concentrations of variable species (local)
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! V_USER - Concentration of variable species in USER's order
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!
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! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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SUBROUTINE Shuffle_kpp2user ( V, V_USER )
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! V - Concentrations of variable species (local)
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REAL(kind=dp) :: V(NVAR)
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! V_USER - Concentration of variable species in USER's order
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REAL(kind=dp) :: V_USER(NVAR)
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V_USER(1) = V(52)
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V_USER(2) = V(49)
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V_USER(3) = V(71)
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V_USER(4) = V(22)
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V_USER(5) = V(62)
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V_USER(6) = V(53)
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V_USER(7) = V(23)
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V_USER(8) = V(16)
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V_USER(9) = V(69)
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V_USER(10) = V(47)
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V_USER(11) = V(1)
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V_USER(12) = V(2)
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V_USER(13) = V(3)
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V_USER(14) = V(4)
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V_USER(15) = V(5)
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V_USER(16) = V(6)
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V_USER(17) = V(7)
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V_USER(18) = V(8)
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V_USER(19) = V(9)
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V_USER(20) = V(10)
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V_USER(21) = V(74)
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V_USER(22) = V(35)
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V_USER(23) = V(88)
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V_USER(24) = V(50)
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V_USER(25) = V(36)
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V_USER(26) = V(19)
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V_USER(27) = V(17)
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V_USER(28) = V(61)
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V_USER(29) = V(24)
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V_USER(30) = V(56)
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V_USER(31) = V(29)
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V_USER(32) = V(84)
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V_USER(33) = V(58)
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V_USER(34) = V(66)
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V_USER(35) = V(41)
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V_USER(36) = V(67)
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V_USER(37) = V(39)
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V_USER(38) = V(65)
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V_USER(39) = V(43)
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V_USER(40) = V(46)
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V_USER(41) = V(60)
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V_USER(42) = V(80)
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V_USER(43) = V(55)
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V_USER(44) = V(78)
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V_USER(45) = V(26)
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V_USER(46) = V(27)
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V_USER(47) = V(86)
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V_USER(48) = V(76)
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V_USER(49) = V(75)
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V_USER(50) = V(90)
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V_USER(51) = V(28)
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V_USER(52) = V(59)
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V_USER(53) = V(40)
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V_USER(54) = V(77)
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V_USER(55) = V(51)
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V_USER(56) = V(25)
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V_USER(57) = V(85)
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V_USER(58) = V(82)
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V_USER(59) = V(87)
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V_USER(60) = V(89)
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V_USER(61) = V(83)
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V_USER(62) = V(21)
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V_USER(63) = V(44)
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V_USER(64) = V(70)
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V_USER(65) = V(37)
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V_USER(66) = V(18)
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V_USER(67) = V(63)
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V_USER(68) = V(48)
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V_USER(69) = V(38)
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V_USER(70) = V(54)
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V_USER(71) = V(73)
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V_USER(72) = V(72)
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V_USER(73) = V(30)
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V_USER(74) = V(31)
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V_USER(75) = V(32)
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V_USER(76) = V(68)
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V_USER(77) = V(81)
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V_USER(78) = V(57)
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V_USER(79) = V(79)
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V_USER(80) = V(45)
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V_USER(81) = V(33)
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V_USER(82) = V(64)
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V_USER(83) = V(42)
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V_USER(84) = V(34)
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V_USER(85) = V(20)
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V_USER(86) = V(11)
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V_USER(87) = V(12)
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V_USER(88) = V(13)
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V_USER(89) = V(14)
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END SUBROUTINE Shuffle_kpp2user
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! End of Shuffle_kpp2user function
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! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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!
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! GetMass - compute total mass of selected atoms
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! Arguments :
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! CL - Concentration of all species (local)
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! Mass - value of mass balance
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!
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! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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SUBROUTINE GetMass ( CL, Mass )
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! CL - Concentration of all species (local)
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REAL(kind=dp) :: CL(NSPEC)
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! Mass - value of mass balance
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REAL(kind=dp) :: Mass(1)
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END SUBROUTINE GetMass
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! End of GetMass function
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! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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END MODULE gckpp_adj_Util
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