[2696] | 1 | SUBROUTINE INTEGRATE( NSENSIT, Y, TIN, TOUT ) |
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| 2 | |
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| 3 | INCLUDE 'KPP_ROOT_params.h' |
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| 4 | INCLUDE 'KPP_ROOT_global.h' |
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| 5 | |
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| 6 | INTEGER NSENSIT |
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| 7 | C TIN - Start Time |
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| 8 | KPP_REAL TIN |
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| 9 | C TOUT - End Time |
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| 10 | KPP_REAL TOUT |
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| 11 | C Y - Concentrations and Sensitivities |
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| 12 | KPP_REAL Y(NVAR*(NSENSIT+1)) |
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| 13 | C --- Note: Y contains: (1:NVAR) concentrations, followed by |
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| 14 | C --- (1:NVAR) sensitivities w.r.t. first parameter, followed by |
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| 15 | C --- etc., followed by |
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| 16 | C --- (1:NVAR) sensitivities w.r.t. NSENSIT's parameter |
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| 17 | |
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| 18 | INTEGER INFO(5) |
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| 19 | |
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| 20 | EXTERNAL FUNC_CHEM, JAC_CHEM |
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| 21 | |
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| 22 | INFO(1) = Autonomous |
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| 23 | |
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| 24 | CALL ROS2_DDM(NVAR,NSENSIT,TIN,TOUT,STEPMIN,STEPMAX, |
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| 25 | + STEPMIN,Y,ATOL,RTOL, |
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| 26 | + Info,FUNC_CHEM,JAC_CHEM) |
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| 27 | |
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| 28 | |
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| 29 | RETURN |
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| 30 | END |
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| 31 | |
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| 32 | |
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| 33 | |
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| 34 | |
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| 35 | SUBROUTINE ROS2_DDM(N,NSENSIT,T,Tnext,Hmin,Hmax,Hstart, |
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| 36 | + y,AbsTol,RelTol, |
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| 37 | + Info,FUNC_CHEM,JAC_CHEM) |
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| 38 | IMPLICIT NONE |
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| 39 | INCLUDE 'KPP_ROOT_params.h' |
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| 40 | INCLUDE 'KPP_ROOT_global.h' |
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| 41 | INCLUDE 'KPP_ROOT_sparse.h' |
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| 42 | C |
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| 43 | C Ros2 with direct-decoupled calculation of sensitivities |
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| 44 | C |
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| 45 | C The global variable DDMTYPE distinguishes between: |
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| 46 | C DDMTYPE = 0 : sensitivities w.r.t. initial values |
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| 47 | C DDMTYPE = 1 : sensitivities w.r.t. parameters |
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| 48 | C |
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| 49 | C INPUT ARGUMENTS: |
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| 50 | C y = Vector of: (1:NVAR) concentrations, followed by |
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| 51 | C (1:NVAR) sensitivities w.r.t. first parameter, followed by |
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| 52 | C etc., followed by |
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| 53 | C (1:NVAR) sensitivities w.r.t. NSENSIT's parameter |
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| 54 | C (y contains initial values at input, final values at output) |
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| 55 | C [T, Tnext] = the integration interval |
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| 56 | C Hmin, Hmax = lower and upper bounds for the selected step-size. |
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| 57 | C Note that for Step = Hmin the current computed |
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| 58 | C solution is unconditionally accepted by the error |
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| 59 | C control mechanism. |
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| 60 | C AbsTol, RelTol = (NVAR) dimensional vectors of |
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| 61 | C componentwise absolute and relative tolerances. |
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| 62 | C FUNC_CHEM = name of routine of derivatives. KPP syntax. |
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| 63 | C See the header below. |
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| 64 | C JAC_CHEM = name of routine that computes the Jacobian, in |
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| 65 | C sparse format. KPP syntax. See the header below. |
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| 66 | C Info(1) = 1 for autonomous system |
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| 67 | C = 0 for nonautonomous system |
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| 68 | C |
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| 69 | C OUTPUT ARGUMENTS: |
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| 70 | C y = the values of concentrations at TEND. |
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| 71 | C T = equals TEND on output. |
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| 72 | C Info(2) = # of FUNC_CHEM calls. |
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| 73 | C Info(3) = # of JAC_CHEM calls. |
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| 74 | C Info(4) = # of accepted steps. |
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| 75 | C Info(5) = # of rejected steps. |
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| 76 | C |
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| 77 | C Adrian Sandu, December 2001 |
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| 78 | |
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| 79 | |
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| 80 | INTEGER NSENSIT |
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| 81 | KPP_REAL y(NVAR*(NSENSIT+1)), ynew(NVAR*(NSENSIT+1)) |
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| 82 | KPP_REAL K1(NVAR*(NSENSIT+1)) |
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| 83 | KPP_REAL K2(NVAR*(NSENSIT+1)) |
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| 84 | KPP_REAL K3(NVAR) |
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| 85 | KPP_REAL DFDT(NVAR*(NSENSIT+1)) |
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| 86 | KPP_REAL DFDP(NVAR*NSENSIT+1), DFDPDT(NVAR*NSENSIT+1) |
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| 87 | KPP_REAL DJDP(NVAR*NSENSIT+1) |
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| 88 | KPP_REAL F1(NVAR), F2(NVAR) |
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| 89 | KPP_REAL JAC(LU_NONZERO), AJAC(LU_NONZERO) |
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| 90 | KPP_REAL DJDT(LU_NONZERO) |
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| 91 | KPP_REAL HESS(NHESS) |
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| 92 | KPP_REAL Hmin,Hmax,Hnew,Hstart,ghinv,uround |
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| 93 | KPP_REAL AbsTol(NVAR), RelTol(NVAR) |
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| 94 | KPP_REAL T, Tnext, H, Hold, Tplus, e |
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| 95 | KPP_REAL ERR, factor, facmax, dround, elo, tau, gam |
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| 96 | |
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| 97 | INTEGER n,nfcn,njac,Naccept,Nreject,i,j,ier |
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| 98 | INTEGER Info(5) |
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| 99 | LOGICAL IsReject,Autonomous,Embed3 |
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| 100 | EXTERNAL FUNC_CHEM, JAC_CHEM, HESS_CHEM |
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| 101 | |
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| 102 | LOGICAL negative |
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| 103 | KPP_REAL gamma, m1, m2, alpha, beta, delta, theta, w |
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| 104 | KPP_REAL gamma3, d1, d2, d3, beta1, beta2 |
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| 105 | KPP_REAL c31, c32, c34 |
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| 106 | |
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| 107 | c Initialization of counters, etc. |
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| 108 | Autonomous = Info(1) .EQ. 1 |
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| 109 | Embed3 = Info(2) .EQ. 1 |
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| 110 | uround = 1.d-15 |
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| 111 | dround = 1.0d-7 ! DSQRT(uround) |
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| 112 | H = DMAX1(1.d-8, Hstart) |
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| 113 | Tplus = T |
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| 114 | IsReject = .false. |
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| 115 | Naccept = 0 |
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| 116 | Nreject = 0 |
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| 117 | Nfcn = 0 |
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| 118 | Njac = 0 |
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| 119 | gamma = 1.d0 + 1.d0/DSQRT(2.0d0) |
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| 120 | c31 = -1.0D0/gamma**2*(1.0D0-7.0D0*gamma+9.0D0*gamma**2) |
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| 121 | & /(-1.0D0+2.0D0*gamma) |
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| 122 | c32 = -1.0D0/gamma**2*(1.0D0-6.0D0*gamma+6.0D0*gamma**2) |
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| 123 | & /(-1.0D0+2.0D0*gamma)/2 |
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| 124 | gamma3 = 0.5D0 - 2*gamma |
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| 125 | d1 = ((-9.0D0*gamma+8.0D0*gamma**2+2.0D0)/gamma**2/ |
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| 126 | & (-1.0D0+2*gamma))/6.0D0 |
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| 127 | d2 = ((-1.0D0+3.0D0*gamma)/gamma**2/ |
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| 128 | & (-1.0D0+2.0D0*gamma))/6.0D0 |
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| 129 | d3 = -1.0D0/(3.0D0*gamma) |
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| 130 | m1 = -3.d0/(2.d0*gamma) |
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| 131 | m2 = -1.d0/(2.d0*gamma) |
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| 132 | |
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| 133 | |
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| 134 | C === Starting the time loop === |
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| 135 | 10 CONTINUE |
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| 136 | Tplus = T + H |
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| 137 | IF ( Tplus .gt. Tnext ) THEN |
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| 138 | H = Tnext - T |
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| 139 | Tplus = Tnext |
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| 140 | END IF |
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| 141 | |
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| 142 | C Initial Function, Jacobian, and Hessian Values |
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| 143 | CALL FUNC_CHEM(NVAR, T, y, F1) |
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| 144 | CALL JAC_CHEM(NVAR, T, y, JAC) |
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| 145 | CALL HESS_CHEM( NVAR, T, y, HESS ) |
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| 146 | IF (DDMTYPE .EQ. 1) THEN |
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| 147 | CALL DFUNDPAR(NVAR, NSENSIT, T, y, DFDP) |
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| 148 | END IF |
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| 149 | |
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| 150 | C Estimate the time derivatives in non-autonomous case |
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| 151 | IF (.not. Autonomous) THEN |
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| 152 | tau = DSIGN(dround*DMAX1( 1.0d0, DABS(T) ), T) |
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| 153 | CALL FUNC_CHEM(NVAR, T+tau, y, K2) |
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| 154 | nfcn=nfcn+1 |
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| 155 | CALL JAC_CHEM(NVAR, T+tau, y, AJAC) |
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| 156 | njac=njac+1 |
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| 157 | DO 20 j = 1,NVAR |
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| 158 | DFDT(j) = ( K2(j)-F1(j) )/tau |
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| 159 | 20 CONTINUE |
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| 160 | DO 30 j = 1,LU_NONZERO |
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| 161 | DJDT(j) = ( AJAC(j)-JAC(j) )/tau |
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| 162 | 30 CONTINUE |
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| 163 | DO 40 i=1,NSENSIT |
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| 164 | CALL Jac_SP_Vec (DJDT,y(i*NVAR+1),DFDT(i*NVAR+1)) |
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| 165 | 40 CONTINUE |
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| 166 | END IF ! .not. Autonomous |
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| 167 | |
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| 168 | Njac = Njac+1 |
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| 169 | ghinv = - 1.0d0/(gamma*H) |
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| 170 | DO 50 j=1,LU_NONZERO |
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| 171 | AJAC(j) = JAC(j) |
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| 172 | 50 CONTINUE |
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| 173 | DO 60 j=1,NVAR |
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| 174 | AJAC(LU_DIAG(j)) = JAC(LU_DIAG(j)) + ghinv |
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| 175 | 60 CONTINUE |
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| 176 | CALL KppDecomp (AJAC, ier) |
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| 177 | |
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| 178 | IF (ier.ne.0) THEN |
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| 179 | IF ( H.gt.Hmin) THEN |
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| 180 | H = 5.0d-1*H |
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| 181 | go to 10 |
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| 182 | ELSE |
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| 183 | print *,'IER <> 0, H=',H |
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| 184 | stop |
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| 185 | END IF |
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| 186 | END IF |
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| 187 | |
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| 188 | |
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| 189 | |
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| 190 | |
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| 191 | C ----- STAGE 1 ----- |
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| 192 | delta = gamma*H |
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| 193 | DO 70 j = 1,NVAR |
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| 194 | K1(j) = F1(j) |
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| 195 | 70 CONTINUE |
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| 196 | IF (.NOT. Autonomous) THEN |
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| 197 | DO 80 j = 1,NVAR |
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| 198 | K1(j) = K1(j) + delta*DFDT(j) |
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| 199 | 80 CONTINUE |
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| 200 | END IF |
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| 201 | CALL KppSolve (AJAC, K1) |
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| 202 | C --- If derivative w.r.t. parameters |
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| 203 | IF (DDMTYPE .EQ. 1) THEN |
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| 204 | CALL DJACDPAR(NVAR, NSENSIT, T, y, K1(1), DJDP) |
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| 205 | END IF |
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| 206 | C --- End of derivative w.r.t. parameters |
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| 207 | DO 120 i=1,NSENSIT |
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| 208 | CALL Jac_SP_Vec (JAC,y(i*NVAR+1),K1(i*NVAR+1)) |
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| 209 | CALL Hess_Vec ( HESS, K1(1), y(i*NVAR+1), F2 ) |
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| 210 | DO 90 j=1,NVAR |
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| 211 | K1(i*NVAR+j) = K1(i*NVAR+j) + gHinv*F2(j) |
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| 212 | 90 CONTINUE |
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| 213 | IF (.NOT. Autonomous) THEN |
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| 214 | DO 100 j = 1,NVAR |
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| 215 | K1(i*NVAR+j) = K1(i*NVAR+j) + delta*DFDT(i*NVAR+j) |
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| 216 | 100 CONTINUE |
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| 217 | END IF |
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| 218 | C --- If derivative w.r.t. parameters |
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| 219 | IF (DDMTYPE .EQ. 1) THEN |
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| 220 | DO 110 j = 1,NVAR |
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| 221 | K1(i*NVAR+j) = K1(i*NVAR+j) + DFDP((i-1)*NVAR+j) |
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| 222 | & + DJDP((i-1)*NVAR+j) |
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| 223 | 110 CONTINUE |
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| 224 | END IF |
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| 225 | C --- End of derivative w.r.t. parameters |
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| 226 | CALL KppSolve (AJAC, K1(i*NVAR+1)) |
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| 227 | 120 CONTINUE |
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| 228 | |
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| 229 | C ----- STAGE 2 ----- |
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| 230 | alpha = - 1.d0/gamma |
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| 231 | DO 130 j = 1,NVAR*(NSENSIT+1) |
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| 232 | ynew(j) = y(j) + alpha*K1(j) |
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| 233 | 130 CONTINUE |
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| 234 | CALL FUNC_CHEM(NVAR, T+H, ynew, F1) |
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| 235 | IF (DDMTYPE.EQ.1) THEN |
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| 236 | CALL DFUNDPAR(NVAR, NSENSIT, T+H, ynew, DFDP) |
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| 237 | END IF |
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| 238 | nfcn=nfcn+1 |
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| 239 | beta1 = 2.d0/(gamma*H) |
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| 240 | delta = -gamma*H |
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| 241 | DO 140 j = 1,NVAR |
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| 242 | K2(j) = F1(j) + beta1*K1(j) |
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| 243 | 140 CONTINUE |
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| 244 | IF (.NOT. Autonomous) THEN |
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| 245 | DO 150 j = 1,NVAR |
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| 246 | K2(j) = K2(j) + delta*DFDT(j) |
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| 247 | 150 CONTINUE |
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| 248 | END IF |
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| 249 | CALL KppSolve (AJAC, K2) |
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| 250 | C --- If derivative w.r.t. parameters |
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| 251 | IF (DDMTYPE .EQ. 1) THEN |
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| 252 | CALL DJACDPAR(NVAR, NSENSIT, T, y, K2(1), DJDP) |
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| 253 | END IF |
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| 254 | C --- End of derivative w.r.t. parameters |
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| 255 | |
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| 256 | CALL JAC_CHEM(NVAR, T+H, Ynew, JAC) |
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| 257 | njac=njac+1 |
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| 258 | DO 190 i=1,NSENSIT |
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| 259 | CALL Jac_SP_Vec (JAC,ynew(i*NVAR+1),K2(i*NVAR+1)) |
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| 260 | CALL Jac_SP_Vec (DJDT,y(i*NVAR+1),F1) |
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| 261 | CALL Hess_Vec ( HESS, K2(1), y(i*NVAR+1), F2 ) |
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| 262 | DO 160 j = 1,NVAR |
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| 263 | K2(i*NVAR+j) = K2(i*NVAR+j) + beta1*K1(i*NVAR+j) |
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| 264 | & + gHinv*F2(j) |
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| 265 | 160 CONTINUE |
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| 266 | IF (.NOT. Autonomous) THEN |
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| 267 | DO 170 j = 1,NVAR |
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| 268 | K2(i*NVAR+j) = K2(i*NVAR+j) + delta*DFDT(i*NVAR+j) |
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| 269 | 170 CONTINUE |
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| 270 | END IF |
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| 271 | C --- If derivative w.r.t. parameters |
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| 272 | IF (DDMTYPE .EQ. 1) THEN |
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| 273 | DO 180 j = 1,NVAR |
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| 274 | K2(i*NVAR+j) = K2(i*NVAR+j) + DFDP((i-1)*NVAR+j) |
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| 275 | & + DJDP((i-1)*NVAR+j) |
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| 276 | 180 CONTINUE |
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| 277 | END IF |
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| 278 | C --- End of derivative w.r.t. parameters |
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| 279 | CALL KppSolve (AJAC, K2(i*NVAR+1)) |
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| 280 | 190 CONTINUE |
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| 281 | |
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| 282 | C ----- STAGE 3 for error control only ----- |
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| 283 | IF (Embed3) THEN |
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| 284 | beta1 = -c31/H |
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| 285 | beta2 = -c32/H |
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| 286 | delta = gamma3*H |
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| 287 | DO 195 j = 1,NVAR |
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| 288 | K3(j) = F1(j) + beta1*K1(j) + beta2*K2(j) |
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| 289 | 195 CONTINUE |
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| 290 | IF (.NOT. Autonomous) THEN |
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| 291 | DO 196 j = 1,NVAR |
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| 292 | K3(j) = K3(j) + delta*DFDT(j) |
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| 293 | 196 CONTINUE |
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| 294 | END IF |
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| 295 | CALL KppSolve (AJAC, K3) |
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| 296 | END IF |
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| 297 | |
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| 298 | C ---- The Solution --- |
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| 299 | DO 200 j = 1,NVAR*(NSENSIT+1) |
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| 300 | ynew(j) = y(j) + m1*K1(j) + m2*K2(j) |
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| 301 | 200 CONTINUE |
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| 302 | |
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| 303 | |
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| 304 | C ====== Error estimation for concentrations only; this can be easily adapted to |
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| 305 | C estimate the sensitivity error too ======== |
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| 306 | |
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| 307 | ERR=0.d0 |
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| 308 | DO 210 i=1,NVAR |
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| 309 | w = AbsTol(i) + RelTol(i)*DMAX1(DABS(y(i)),DABS(ynew(i))) |
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| 310 | IF (Embed3) THEN |
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| 311 | e = d1*K1(i) + d2*K2(i) + d3*K3(i) |
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| 312 | ELSE |
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| 313 | e = (1.d0/(2.d0*gamma))*(K1(i)+K2(i)) |
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| 314 | END IF |
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| 315 | ERR = ERR + ( e/w )**2 |
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| 316 | 210 CONTINUE |
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| 317 | ERR = DMAX1( uround, DSQRT( ERR/NVAR ) ) |
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| 318 | |
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| 319 | C ======= Choose the stepsize =============================== |
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| 320 | |
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| 321 | IF (Embed3) THEN |
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| 322 | elo = 3.0D0 ! estimator local order |
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| 323 | ELSE |
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| 324 | elo = 2.0D0 |
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| 325 | END IF |
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| 326 | factor = DMAX1(2.0D-1,DMIN1(6.0D0,ERR**(1.0D0/elo)/.9D0)) |
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| 327 | Hnew = DMIN1(Hmax,DMAX1(Hmin, H/factor)) |
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| 328 | |
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| 329 | C ======= Rejected/Accepted Step ============================ |
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| 330 | |
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| 331 | IF ( (ERR.gt.1).and.(H.gt.Hmin) ) THEN |
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| 332 | IsReject = .true. |
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| 333 | H = DMIN1(H/10,Hnew) |
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| 334 | Nreject = Nreject+1 |
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| 335 | ELSE |
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| 336 | DO 300 i=1,NVAR*(NSENSIT+1) |
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| 337 | y(i) = ynew(i) |
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| 338 | 300 CONTINUE |
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| 339 | T = Tplus |
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| 340 | IF (.NOT.IsReject) THEN |
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| 341 | H = Hnew ! Do not increase stepsize if previous step was rejected |
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| 342 | END IF |
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| 343 | IsReject = .false. |
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| 344 | Naccept = Naccept+1 |
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| 345 | END IF |
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| 346 | |
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| 347 | C ======= End of the time loop =============================== |
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| 348 | IF ( T .lt. Tnext ) GO TO 10 |
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| 349 | |
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| 350 | |
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| 351 | |
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| 352 | C ======= Output Information ================================= |
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| 353 | Info(2) = Nfcn |
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| 354 | Info(3) = Njac |
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| 355 | Info(4) = Naccept |
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| 356 | Info(5) = Nreject |
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| 357 | |
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| 358 | RETURN |
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| 359 | END |
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| 360 | |
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| 361 | |
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| 362 | |
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| 363 | SUBROUTINE FUNC_CHEM(N, T, Y, P) |
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| 364 | INCLUDE 'KPP_ROOT_params.h' |
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| 365 | INCLUDE 'KPP_ROOT_global.h' |
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| 366 | KPP_REAL T, Told |
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| 367 | KPP_REAL Y(NVAR), P(NVAR) |
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| 368 | Told = TIME |
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| 369 | TIME = T |
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| 370 | CALL Update_SUN() |
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| 371 | CALL Update_RCONST() |
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| 372 | CALL Fun( Y, FIX, RCONST, P ) |
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| 373 | TIME = Told |
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| 374 | RETURN |
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| 375 | END |
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| 376 | |
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| 377 | |
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| 378 | SUBROUTINE DFUNDPAR(N, NSENSIT, T, Y, P) |
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| 379 | C --- Computes the partial derivatives of FUNC_CHEM w.r.t. parameters |
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| 380 | INCLUDE 'KPP_ROOT_params.h' |
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| 381 | INCLUDE 'KPP_ROOT_global.h' |
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| 382 | C --- NCOEFF, JCOEFF useful for derivatives w.r.t. rate coefficients |
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| 383 | INTEGER NCOEFF, JCOEFF(NREACT) |
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| 384 | COMMON /DDMRCOEFF/ NCOEFF, JCOEFF |
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| 385 | |
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| 386 | KPP_REAL T, Told |
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| 387 | KPP_REAL Y(NVAR), P(NVAR*NSENSIT) |
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| 388 | Told = TIME |
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| 389 | TIME = T |
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| 390 | CALL Update_SUN() |
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| 391 | CALL Update_RCONST() |
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| 392 | C |
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| 393 | IF (DDMTYPE .EQ. 0) THEN |
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| 394 | C --- Note: the values below are for sensitivities w.r.t. initial values; |
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| 395 | C --- they may have to be changed for other applications |
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| 396 | DO j=1,NSENSIT |
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| 397 | DO i=1,NVAR |
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| 398 | P(i+NVAR*(j-1)) = 0.0D0 |
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| 399 | END DO |
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| 400 | END DO |
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| 401 | ELSE |
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| 402 | C --- Example: the call below is for sensitivities w.r.t. rate coefficients; |
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| 403 | C --- JCOEFF(1:NSENSIT) are the indices of the NSENSIT rate coefficients |
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| 404 | C --- w.r.t. which one differentiates |
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| 405 | CALL dFun_dRcoeff( Y, FIX, NCOEFF, JCOEFF, P ) |
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| 406 | END IF |
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| 407 | TIME = Told |
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| 408 | RETURN |
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| 409 | END |
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| 410 | |
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| 411 | SUBROUTINE DJACDPAR(N, NSENSIT, T, Y, U, P) |
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| 412 | C --- Computes the partial derivatives of JAC w.r.t. parameters times user vector U |
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| 413 | INCLUDE 'KPP_ROOT_params.h' |
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| 414 | INCLUDE 'KPP_ROOT_global.h' |
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| 415 | C --- NCOEFF, JCOEFF useful for derivatives w.r.t. rate coefficients |
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| 416 | INTEGER NCOEFF, JCOEFF(NREACT) |
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| 417 | COMMON /DDMRCOEFF/ NCOEFF, JCOEFF |
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| 418 | |
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| 419 | KPP_REAL T, Told |
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| 420 | KPP_REAL Y(NVAR), U(NVAR) |
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| 421 | KPP_REAL P(NVAR*NSENSIT) |
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| 422 | Told = TIME |
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| 423 | TIME = T |
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| 424 | CALL Update_SUN() |
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| 425 | CALL Update_RCONST() |
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| 426 | C |
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| 427 | IF (DDMTYPE .EQ. 0) THEN |
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| 428 | C --- Note: the values below are for sensitivities w.r.t. initial values; |
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| 429 | C --- they may have to be changed for other applications |
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| 430 | DO j=1,NSENSIT |
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| 431 | DO i=1,NVAR |
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| 432 | P(i+NVAR*(j-1)) = 0.0D0 |
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| 433 | END DO |
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| 434 | END DO |
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| 435 | ELSE |
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| 436 | C --- Example: the call below is for sensitivities w.r.t. rate coefficients; |
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| 437 | C --- JCOEFF(1:NSENSIT) are the indices of the NSENSIT rate coefficients |
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| 438 | C --- w.r.t. which one differentiates |
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| 439 | CALL dJac_dRcoeff( Y, FIX, U, NCOEFF, JCOEFF, P ) |
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| 440 | END IF |
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| 441 | TIME = Told |
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| 442 | RETURN |
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| 443 | END |
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| 444 | |
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| 445 | SUBROUTINE JAC_CHEM(N, T, Y, J) |
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| 446 | INCLUDE 'KPP_ROOT_params.h' |
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| 447 | INCLUDE 'KPP_ROOT_global.h' |
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| 448 | INTEGER N |
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| 449 | KPP_REAL Told, T |
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| 450 | KPP_REAL Y(NVAR), J(LU_NONZERO) |
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| 451 | Told = TIME |
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| 452 | TIME = T |
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| 453 | CALL Update_SUN() |
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| 454 | CALL Update_RCONST() |
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| 455 | CALL Jac_SP( Y, FIX, RCONST, J ) |
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| 456 | TIME = Told |
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| 457 | RETURN |
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| 458 | END |
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| 459 | |
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| 460 | |
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| 461 | SUBROUTINE HESS_CHEM(N, T, Y, HESS) |
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| 462 | INCLUDE 'KPP_ROOT_params.h' |
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| 463 | INCLUDE 'KPP_ROOT_global.h' |
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| 464 | INTEGER N |
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| 465 | KPP_REAL Told, T |
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| 466 | KPP_REAL Y(NVAR), HESS(NHESS) |
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| 467 | Told = TIME |
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| 468 | TIME = T |
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| 469 | CALL Update_SUN() |
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| 470 | CALL Update_RCONST() |
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| 471 | CALL Hessian( Y, FIX, RCONST, HESS ) |
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| 472 | TIME = Told |
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| 473 | RETURN |
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| 474 | END |
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| 475 | |
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| 476 | |
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| 477 | |
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| 478 | |
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| 479 | |
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| 480 | |
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